USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 THR OG1 : rot 70:sc= -0.595 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 62 SER OG : rot 140:sc= 0.0113 USER MOD Set 2.2: A 71 SER OG : rot 123:sc= 0.15 USER MOD Set 3.1: A 43 ASN : amide:sc= -2.9 X(o=-4.7,f=-5!) USER MOD Set 3.2: A 58 THR OG1 : rot 130:sc= -1.81! USER MOD Set 4.1: A 7 THR OG1 : rot -160:sc= 0 USER MOD Set 4.2: A 93 ASN : amide:sc= -1.35! C(o=-1.4!,f=-8.1!) USER MOD Single : A 10 ASN : amide:sc= -7.58! C(o=-7.6!,f=-18!) USER MOD Single : A 11 THR OG1 : rot 90:sc= -1.38 USER MOD Single : A 12 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.059) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -160:sc= -1.53 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0352 USER MOD Single : A 28 GLN : amide:sc= -0.342 K(o=-0.34,f=-2!) USER MOD Single : A 29 GLN : amide:sc= -0.0299 K(o=-0.03,f=-0.64) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 155:sc=-0.00297 (180deg=-0.12) USER MOD Single : A 36 ASN : amide:sc= -2.46 K(o=-2.5,f=-8.8!) USER MOD Single : A 40 HIS : no HD1:sc= -6.15 K(o=-6.2,f=-4.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.104 USER MOD Single : A 54 ASN : amide:sc= -3.42 K(o=-3.4,f=-5.2!) USER MOD Single : A 56 SER OG : rot 180:sc= -0.008 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 60 TYR OH : rot -177:sc= 0.894 USER MOD Single : A 61 ASN : amide:sc= -0.323 K(o=-0.32,f=-2.4!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 87:sc= 1.28 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.63 USER MOD Single : A 77 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.8) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.037 K(o=-0.037,f=-1.1!) USER MOD Single : A 82 THR OG1 : rot 39:sc= 1.16 USER MOD Single : A 83 SER OG : rot -118:sc= -0.457 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -6.96! C(o=-7!,f=-5.1!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.073 -4.891 -4.887 1.00 0.00 N ATOM 59 CA PHE A 4 11.851 -5.927 -5.572 1.00 0.00 C ATOM 60 C PHE A 4 13.323 -5.865 -5.169 1.00 0.00 C ATOM 61 O PHE A 4 13.958 -6.898 -4.961 1.00 0.00 O ATOM 62 CB PHE A 4 11.700 -5.807 -7.097 1.00 0.00 C ATOM 63 CG PHE A 4 12.539 -4.730 -7.732 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.082 -3.424 -7.805 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.785 -5.030 -8.262 1.00 0.00 C ATOM 66 CE1 PHE A 4 12.853 -2.439 -8.392 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.558 -4.049 -8.848 1.00 0.00 C ATOM 68 CZ PHE A 4 14.093 -2.751 -8.913 1.00 0.00 C ATOM 0 HA PHE A 4 11.458 -6.896 -5.266 1.00 0.00 H new ATOM 0 HB2 PHE A 4 11.959 -6.764 -7.550 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.652 -5.617 -7.330 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.113 -3.173 -7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.155 -6.044 -8.215 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.486 -1.425 -8.443 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.527 -4.297 -9.256 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.697 -1.982 -9.370 1.00 0.00 H new ATOM 78 N ILE A 5 13.863 -4.655 -5.059 1.00 0.00 N ATOM 79 CA ILE A 5 15.262 -4.486 -4.681 1.00 0.00 C ATOM 80 C ILE A 5 15.528 -5.041 -3.288 1.00 0.00 C ATOM 81 O ILE A 5 16.661 -5.385 -2.953 1.00 0.00 O ATOM 82 CB ILE A 5 15.689 -3.003 -4.725 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.207 -2.886 -4.581 1.00 0.00 C ATOM 84 CG2 ILE A 5 14.982 -2.197 -3.640 1.00 0.00 C ATOM 85 CD1 ILE A 5 17.962 -3.310 -5.820 1.00 0.00 C ATOM 0 H ILE A 5 13.358 -3.784 -5.225 1.00 0.00 H new ATOM 0 HA ILE A 5 15.851 -5.044 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 5 15.397 -2.591 -5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.464 -1.854 -4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.533 -3.497 -3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.301 -1.156 -3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.904 -2.254 -3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.235 -2.604 -2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.033 -3.202 -5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.734 -4.352 -6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.664 -2.683 -6.660 1.00 0.00 H new ATOM 97 N GLU A 6 14.478 -5.147 -2.481 1.00 0.00 N ATOM 98 CA GLU A 6 14.616 -5.676 -1.130 1.00 0.00 C ATOM 99 C GLU A 6 14.842 -7.189 -1.158 1.00 0.00 C ATOM 100 O GLU A 6 15.422 -7.758 -0.232 1.00 0.00 O ATOM 101 CB GLU A 6 13.367 -5.355 -0.302 1.00 0.00 C ATOM 102 CG GLU A 6 13.055 -3.871 -0.206 1.00 0.00 C ATOM 103 CD GLU A 6 12.463 -3.488 1.134 1.00 0.00 C ATOM 104 OE1 GLU A 6 13.190 -3.565 2.148 1.00 0.00 O ATOM 105 OE2 GLU A 6 11.272 -3.115 1.173 1.00 0.00 O ATOM 0 H GLU A 6 13.529 -4.876 -2.737 1.00 0.00 H new ATOM 0 HA GLU A 6 15.483 -5.202 -0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.511 -5.868 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.498 -5.754 0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.968 -3.300 -0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.359 -3.597 -0.999 1.00 0.00 H new ATOM 112 N THR A 7 14.393 -7.835 -2.233 1.00 0.00 N ATOM 113 CA THR A 7 14.557 -9.278 -2.386 1.00 0.00 C ATOM 114 C THR A 7 15.388 -9.626 -3.625 1.00 0.00 C ATOM 115 O THR A 7 15.366 -10.763 -4.103 1.00 0.00 O ATOM 116 CB THR A 7 13.187 -9.950 -2.460 1.00 0.00 C ATOM 117 OG1 THR A 7 12.521 -9.601 -3.662 1.00 0.00 O ATOM 118 CG2 THR A 7 12.283 -9.573 -1.306 1.00 0.00 C ATOM 0 H THR A 7 13.913 -7.381 -3.010 1.00 0.00 H new ATOM 0 HA THR A 7 15.097 -9.650 -1.515 1.00 0.00 H new ATOM 0 HB THR A 7 13.382 -11.022 -2.418 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.560 -9.762 -3.562 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.325 -10.081 -1.414 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.749 -9.871 -0.367 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.124 -8.495 -1.306 1.00 0.00 H new ATOM 126 N CYS A 8 16.113 -8.646 -4.147 1.00 0.00 N ATOM 127 CA CYS A 8 16.934 -8.859 -5.330 1.00 0.00 C ATOM 128 C CYS A 8 18.326 -8.280 -5.136 1.00 0.00 C ATOM 129 O CYS A 8 18.526 -7.361 -4.339 1.00 0.00 O ATOM 130 CB CYS A 8 16.275 -8.237 -6.563 1.00 0.00 C ATOM 131 SG CYS A 8 14.624 -8.908 -6.940 1.00 0.00 S ATOM 0 H CYS A 8 16.149 -7.699 -3.771 1.00 0.00 H new ATOM 0 HA CYS A 8 17.025 -9.934 -5.485 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.193 -7.160 -6.414 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.924 -8.391 -7.425 1.00 0.00 H new ATOM 136 N ARG A 9 19.285 -8.824 -5.872 1.00 0.00 N ATOM 137 CA ARG A 9 20.664 -8.370 -5.783 1.00 0.00 C ATOM 138 C ARG A 9 21.290 -8.215 -7.167 1.00 0.00 C ATOM 139 O ARG A 9 20.688 -8.574 -8.179 1.00 0.00 O ATOM 140 CB ARG A 9 21.491 -9.336 -4.929 1.00 0.00 C ATOM 141 CG ARG A 9 21.588 -10.742 -5.505 1.00 0.00 C ATOM 142 CD ARG A 9 21.870 -11.764 -4.415 1.00 0.00 C ATOM 143 NE ARG A 9 22.387 -13.021 -4.955 1.00 0.00 N ATOM 144 CZ ARG A 9 23.666 -13.233 -5.262 1.00 0.00 C ATOM 145 NH1 ARG A 9 24.568 -12.271 -5.109 1.00 0.00 N ATOM 146 NH2 ARG A 9 24.044 -14.416 -5.727 1.00 0.00 N ATOM 0 H ARG A 9 19.132 -9.581 -6.538 1.00 0.00 H new ATOM 0 HA ARG A 9 20.662 -7.390 -5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.497 -8.932 -4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.052 -9.392 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.657 -10.995 -6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 9 22.379 -10.777 -6.254 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.590 -11.350 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 9 20.954 -11.960 -3.857 1.00 0.00 H new ATOM 0 HE ARG A 9 21.727 -13.784 -5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 9 24.285 -11.358 -4.753 1.00 0.00 H new ATOM 0 HH12 ARG A 9 25.544 -12.445 -5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 9 23.356 -15.160 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 9 25.022 -14.582 -5.963 1.00 0.00 H new ATOM 160 N ASN A 10 22.503 -7.664 -7.195 1.00 0.00 N ATOM 161 CA ASN A 10 23.245 -7.436 -8.437 1.00 0.00 C ATOM 162 C ASN A 10 22.392 -6.756 -9.511 1.00 0.00 C ATOM 163 O ASN A 10 22.237 -7.277 -10.615 1.00 0.00 O ATOM 164 CB ASN A 10 23.841 -8.749 -8.964 1.00 0.00 C ATOM 165 CG ASN A 10 22.795 -9.730 -9.453 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.199 -10.464 -8.665 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.582 -9.762 -10.763 1.00 0.00 N ATOM 0 H ASN A 10 23.000 -7.362 -6.357 1.00 0.00 H new ATOM 0 HA ASN A 10 24.060 -6.752 -8.200 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.529 -8.526 -9.780 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.426 -9.217 -8.173 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.901 -10.414 -11.153 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.099 -9.135 -11.379 1.00 0.00 H new ATOM 174 N THR A 11 21.862 -5.577 -9.186 1.00 0.00 N ATOM 175 CA THR A 11 21.055 -4.815 -10.135 1.00 0.00 C ATOM 176 C THR A 11 21.959 -4.090 -11.126 1.00 0.00 C ATOM 177 O THR A 11 22.967 -3.497 -10.740 1.00 0.00 O ATOM 178 CB THR A 11 20.163 -3.806 -9.409 1.00 0.00 C ATOM 179 OG1 THR A 11 20.936 -2.730 -8.907 1.00 0.00 O ATOM 180 CG2 THR A 11 19.392 -4.400 -8.249 1.00 0.00 C ATOM 0 H THR A 11 21.977 -5.131 -8.276 1.00 0.00 H new ATOM 0 HA THR A 11 20.415 -5.513 -10.675 1.00 0.00 H new ATOM 0 HB THR A 11 19.446 -3.468 -10.157 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.991 -2.023 -9.584 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.782 -3.626 -7.783 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.747 -5.200 -8.612 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.091 -4.802 -7.515 1.00 0.00 H new ATOM 188 N GLN A 12 21.601 -4.144 -12.402 1.00 0.00 N ATOM 189 CA GLN A 12 22.399 -3.497 -13.438 1.00 0.00 C ATOM 190 C GLN A 12 21.585 -3.238 -14.693 1.00 0.00 C ATOM 191 O GLN A 12 20.516 -3.817 -14.887 1.00 0.00 O ATOM 192 CB GLN A 12 23.635 -4.333 -13.770 1.00 0.00 C ATOM 193 CG GLN A 12 23.318 -5.698 -14.354 1.00 0.00 C ATOM 194 CD GLN A 12 24.252 -6.776 -13.838 1.00 0.00 C ATOM 195 OE1 GLN A 12 24.889 -7.487 -14.616 1.00 0.00 O ATOM 196 NE2 GLN A 12 24.341 -6.894 -12.519 1.00 0.00 N ATOM 0 H GLN A 12 20.769 -4.625 -12.744 1.00 0.00 H new ATOM 0 HA GLN A 12 22.722 -2.533 -13.045 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.255 -3.782 -14.477 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.226 -4.465 -12.864 1.00 0.00 H new ATOM 0 HG2 GLN A 12 22.289 -5.965 -14.111 1.00 0.00 H new ATOM 0 HG3 GLN A 12 23.387 -5.651 -15.441 1.00 0.00 H new ATOM 0 HE21 GLN A 12 23.793 -6.282 -11.914 1.00 0.00 H new ATOM 0 HE22 GLN A 12 24.957 -7.597 -12.110 1.00 0.00 H new ATOM 205 N LEU A 13 22.105 -2.366 -15.549 1.00 0.00 N ATOM 206 CA LEU A 13 21.424 -2.034 -16.788 1.00 0.00 C ATOM 207 C LEU A 13 21.987 -2.836 -17.943 1.00 0.00 C ATOM 208 O LEU A 13 23.201 -2.979 -18.086 1.00 0.00 O ATOM 209 CB LEU A 13 21.567 -0.551 -17.119 1.00 0.00 C ATOM 210 CG LEU A 13 20.838 -0.127 -18.398 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.681 0.799 -18.071 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.793 0.534 -19.383 1.00 0.00 C ATOM 0 H LEU A 13 22.991 -1.880 -15.407 1.00 0.00 H new ATOM 0 HA LEU A 13 20.371 -2.275 -16.646 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.186 0.036 -16.284 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.626 -0.312 -17.220 1.00 0.00 H new ATOM 0 HG LEU A 13 20.440 -1.025 -18.870 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.176 1.089 -18.992 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.977 0.284 -17.417 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.058 1.689 -17.568 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.247 0.824 -20.281 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.233 1.419 -18.924 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.583 -0.168 -19.650 1.00 0.00 H new ATOM 224 N ALA A 14 21.091 -3.346 -18.775 1.00 0.00 N ATOM 225 CA ALA A 14 21.473 -4.119 -19.936 1.00 0.00 C ATOM 226 C ALA A 14 20.955 -3.432 -21.195 1.00 0.00 C ATOM 227 O ALA A 14 19.867 -2.857 -21.184 1.00 0.00 O ATOM 228 CB ALA A 14 20.923 -5.532 -19.825 1.00 0.00 C ATOM 0 H ALA A 14 20.084 -3.233 -18.661 1.00 0.00 H new ATOM 0 HA ALA A 14 22.560 -4.182 -19.993 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.216 -6.106 -20.704 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.323 -6.009 -18.930 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.835 -5.495 -19.761 1.00 0.00 H new ATOM 234 N GLY A 15 21.728 -3.475 -22.271 1.00 0.00 N ATOM 235 CA GLY A 15 21.298 -2.829 -23.499 1.00 0.00 C ATOM 236 C GLY A 15 21.027 -1.348 -23.295 1.00 0.00 C ATOM 237 O GLY A 15 21.692 -0.704 -22.485 1.00 0.00 O ATOM 0 H GLY A 15 22.635 -3.939 -22.319 1.00 0.00 H new ATOM 0 HA2 GLY A 15 22.064 -2.956 -24.264 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.395 -3.316 -23.869 1.00 0.00 H new ATOM 241 N SER A 16 20.088 -0.785 -24.056 1.00 0.00 N ATOM 242 CA SER A 16 19.801 0.646 -23.956 1.00 0.00 C ATOM 243 C SER A 16 18.771 0.987 -22.880 1.00 0.00 C ATOM 244 O SER A 16 18.896 2.014 -22.216 1.00 0.00 O ATOM 245 CB SER A 16 19.280 1.168 -25.294 1.00 0.00 C ATOM 246 OG SER A 16 19.974 0.585 -26.383 1.00 0.00 O ATOM 0 H SER A 16 19.521 -1.289 -24.738 1.00 0.00 H new ATOM 0 HA SER A 16 20.742 1.121 -23.680 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.215 0.951 -25.381 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.388 2.252 -25.330 1.00 0.00 H new ATOM 0 HG SER A 16 19.617 0.937 -27.225 1.00 0.00 H new ATOM 252 N SER A 17 17.749 0.155 -22.708 1.00 0.00 N ATOM 253 CA SER A 17 16.720 0.443 -21.716 1.00 0.00 C ATOM 254 C SER A 17 16.227 -0.804 -20.981 1.00 0.00 C ATOM 255 O SER A 17 15.048 -0.910 -20.644 1.00 0.00 O ATOM 256 CB SER A 17 15.553 1.168 -22.386 1.00 0.00 C ATOM 257 OG SER A 17 15.296 0.640 -23.675 1.00 0.00 O ATOM 0 H SER A 17 17.612 -0.709 -23.232 1.00 0.00 H new ATOM 0 HA SER A 17 17.172 1.083 -20.958 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.660 1.076 -21.767 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.778 2.232 -22.464 1.00 0.00 H new ATOM 0 HG SER A 17 14.787 1.292 -24.200 1.00 0.00 H new ATOM 263 N GLU A 18 17.138 -1.735 -20.718 1.00 0.00 N ATOM 264 CA GLU A 18 16.799 -2.960 -19.994 1.00 0.00 C ATOM 265 C GLU A 18 17.523 -3.051 -18.658 1.00 0.00 C ATOM 266 O GLU A 18 18.640 -2.558 -18.502 1.00 0.00 O ATOM 267 CB GLU A 18 17.115 -4.210 -20.815 1.00 0.00 C ATOM 268 CG GLU A 18 16.041 -4.584 -21.818 1.00 0.00 C ATOM 269 CD GLU A 18 16.415 -4.237 -23.245 1.00 0.00 C ATOM 270 OE1 GLU A 18 17.624 -4.245 -23.561 1.00 0.00 O ATOM 271 OE2 GLU A 18 15.499 -3.964 -24.046 1.00 0.00 O ATOM 0 H GLU A 18 18.117 -1.667 -20.994 1.00 0.00 H new ATOM 0 HA GLU A 18 15.725 -2.913 -19.813 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.054 -4.054 -21.346 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.269 -5.048 -20.135 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.845 -5.654 -21.750 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.114 -4.073 -21.557 1.00 0.00 H new ATOM 278 N LEU A 19 16.873 -3.709 -17.703 1.00 0.00 N ATOM 279 CA LEU A 19 17.435 -3.910 -16.374 1.00 0.00 C ATOM 280 C LEU A 19 17.471 -5.408 -16.077 1.00 0.00 C ATOM 281 O LEU A 19 16.441 -6.083 -16.137 1.00 0.00 O ATOM 282 CB LEU A 19 16.599 -3.160 -15.322 1.00 0.00 C ATOM 283 CG LEU A 19 16.779 -3.607 -13.865 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.220 -3.419 -13.420 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.839 -2.825 -12.957 1.00 0.00 C ATOM 0 H LEU A 19 15.946 -4.116 -17.829 1.00 0.00 H new ATOM 0 HA LEU A 19 18.449 -3.512 -16.336 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.840 -2.099 -15.387 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.546 -3.264 -15.584 1.00 0.00 H new ATOM 0 HG LEU A 19 16.535 -4.667 -13.796 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.326 -3.742 -12.384 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.877 -4.014 -14.055 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.492 -2.367 -13.502 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.975 -3.150 -11.926 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.061 -1.761 -13.034 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.808 -3.004 -13.261 1.00 0.00 H new ATOM 297 N ALA A 20 18.649 -5.935 -15.758 1.00 0.00 N ATOM 298 CA ALA A 20 18.787 -7.349 -15.454 1.00 0.00 C ATOM 299 C ALA A 20 19.271 -7.518 -14.016 1.00 0.00 C ATOM 300 O ALA A 20 20.070 -6.719 -13.527 1.00 0.00 O ATOM 301 CB ALA A 20 19.737 -8.006 -16.445 1.00 0.00 C ATOM 0 H ALA A 20 19.518 -5.403 -15.704 1.00 0.00 H new ATOM 0 HA ALA A 20 17.819 -7.842 -15.547 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.834 -9.066 -16.209 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.343 -7.894 -17.455 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.715 -7.529 -16.382 1.00 0.00 H new ATOM 307 N ALA A 21 18.766 -8.540 -13.333 1.00 0.00 N ATOM 308 CA ALA A 21 19.130 -8.779 -11.940 1.00 0.00 C ATOM 309 C ALA A 21 18.805 -10.206 -11.514 1.00 0.00 C ATOM 310 O ALA A 21 18.136 -10.939 -12.241 1.00 0.00 O ATOM 311 CB ALA A 21 18.419 -7.785 -11.036 1.00 0.00 C ATOM 0 H ALA A 21 18.106 -9.214 -13.719 1.00 0.00 H new ATOM 0 HA ALA A 21 20.207 -8.642 -11.847 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.698 -7.972 -9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.708 -6.771 -11.312 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.341 -7.898 -11.148 1.00 0.00 H new ATOM 317 N GLU A 22 19.230 -10.579 -10.310 1.00 0.00 N ATOM 318 CA GLU A 22 18.928 -11.898 -9.769 1.00 0.00 C ATOM 319 C GLU A 22 17.999 -11.733 -8.566 1.00 0.00 C ATOM 320 O GLU A 22 18.226 -10.871 -7.714 1.00 0.00 O ATOM 321 CB GLU A 22 20.204 -12.636 -9.349 1.00 0.00 C ATOM 322 CG GLU A 22 21.239 -12.761 -10.457 1.00 0.00 C ATOM 323 CD GLU A 22 21.779 -14.174 -10.602 1.00 0.00 C ATOM 324 OE1 GLU A 22 22.490 -14.637 -9.685 1.00 0.00 O ATOM 325 OE2 GLU A 22 21.491 -14.816 -11.634 1.00 0.00 O ATOM 0 H GLU A 22 19.784 -9.986 -9.692 1.00 0.00 H new ATOM 0 HA GLU A 22 18.443 -12.494 -10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.652 -12.113 -8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.937 -13.634 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.793 -12.449 -11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 22 22.066 -12.080 -10.254 1.00 0.00 H new ATOM 332 N CYS A 23 16.945 -12.539 -8.496 1.00 0.00 N ATOM 333 CA CYS A 23 15.997 -12.439 -7.393 1.00 0.00 C ATOM 334 C CYS A 23 15.704 -13.801 -6.772 1.00 0.00 C ATOM 335 O CYS A 23 15.458 -14.778 -7.478 1.00 0.00 O ATOM 336 CB CYS A 23 14.703 -11.788 -7.880 1.00 0.00 C ATOM 337 SG CYS A 23 14.933 -10.109 -8.547 1.00 0.00 S ATOM 0 H CYS A 23 16.727 -13.261 -9.182 1.00 0.00 H new ATOM 0 HA CYS A 23 16.447 -11.818 -6.619 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.258 -12.417 -8.651 1.00 0.00 H new ATOM 0 HB3 CYS A 23 13.994 -11.747 -7.053 1.00 0.00 H new ATOM 342 N LYS A 24 15.750 -13.855 -5.449 1.00 0.00 N ATOM 343 CA LYS A 24 15.498 -15.097 -4.733 1.00 0.00 C ATOM 344 C LYS A 24 14.062 -15.570 -4.936 1.00 0.00 C ATOM 345 O LYS A 24 13.121 -14.777 -4.930 1.00 0.00 O ATOM 346 CB LYS A 24 15.793 -14.921 -3.238 1.00 0.00 C ATOM 347 CG LYS A 24 14.885 -13.911 -2.551 1.00 0.00 C ATOM 348 CD LYS A 24 14.742 -14.201 -1.063 1.00 0.00 C ATOM 349 CE LYS A 24 15.759 -13.427 -0.239 1.00 0.00 C ATOM 350 NZ LYS A 24 16.030 -14.088 1.067 1.00 0.00 N ATOM 0 H LYS A 24 15.959 -13.056 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 24 16.165 -15.859 -5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.691 -15.885 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.830 -14.607 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.287 -12.907 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.902 -13.927 -3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.735 -13.941 -0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.868 -15.269 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.689 -13.337 -0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.392 -12.415 -0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.728 -13.531 1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.148 -14.152 1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.404 -15.044 0.901 1.00 0.00 H new ATOM 364 N THR A 25 13.914 -16.875 -5.122 1.00 0.00 N ATOM 365 CA THR A 25 12.607 -17.479 -5.332 1.00 0.00 C ATOM 366 C THR A 25 11.955 -17.817 -3.998 1.00 0.00 C ATOM 367 O THR A 25 12.506 -17.512 -2.941 1.00 0.00 O ATOM 368 CB THR A 25 12.749 -18.728 -6.200 1.00 0.00 C ATOM 369 OG1 THR A 25 13.618 -19.664 -5.586 1.00 0.00 O ATOM 370 CG2 THR A 25 13.295 -18.431 -7.581 1.00 0.00 C ATOM 0 H THR A 25 14.689 -17.538 -5.131 1.00 0.00 H new ATOM 0 HA THR A 25 11.964 -16.766 -5.848 1.00 0.00 H new ATOM 0 HB THR A 25 11.742 -19.132 -6.302 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.697 -20.459 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.372 -19.358 -8.149 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.624 -17.744 -8.097 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.282 -17.976 -7.492 1.00 0.00 H new ATOM 378 N ARG A 26 10.780 -18.435 -4.039 1.00 0.00 N ATOM 379 CA ARG A 26 10.069 -18.794 -2.816 1.00 0.00 C ATOM 380 C ARG A 26 10.887 -19.759 -1.963 1.00 0.00 C ATOM 381 O ARG A 26 10.769 -19.775 -0.737 1.00 0.00 O ATOM 382 CB ARG A 26 8.715 -19.420 -3.161 1.00 0.00 C ATOM 383 CG ARG A 26 7.840 -18.537 -4.039 1.00 0.00 C ATOM 384 CD ARG A 26 6.548 -19.245 -4.424 1.00 0.00 C ATOM 385 NE ARG A 26 5.666 -18.389 -5.217 1.00 0.00 N ATOM 386 CZ ARG A 26 4.465 -18.763 -5.657 1.00 0.00 C ATOM 387 NH1 ARG A 26 4.022 -19.997 -5.444 1.00 0.00 N ATOM 388 NH2 ARG A 26 3.710 -17.904 -6.328 1.00 0.00 N ATOM 0 H ARG A 26 10.301 -18.697 -4.901 1.00 0.00 H new ATOM 0 HA ARG A 26 9.910 -17.883 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.882 -20.370 -3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.181 -19.642 -2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.607 -17.613 -3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.388 -18.260 -4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.784 -20.146 -4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.027 -19.564 -3.521 1.00 0.00 H new ATOM 0 HE ARG A 26 5.990 -17.449 -5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.602 -20.667 -4.940 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.101 -20.274 -5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.049 -16.959 -6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.791 -18.189 -6.666 1.00 0.00 H new ATOM 402 N ALA A 27 11.698 -20.585 -2.618 1.00 0.00 N ATOM 403 CA ALA A 27 12.510 -21.567 -1.913 1.00 0.00 C ATOM 404 C ALA A 27 13.816 -20.979 -1.372 1.00 0.00 C ATOM 405 O ALA A 27 14.701 -21.722 -0.948 1.00 0.00 O ATOM 406 CB ALA A 27 12.805 -22.743 -2.830 1.00 0.00 C ATOM 0 H ALA A 27 11.809 -20.593 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 27 11.934 -21.902 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.413 -23.475 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.868 -23.206 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.346 -22.392 -3.709 1.00 0.00 H new ATOM 412 N GLN A 28 13.956 -19.655 -1.408 1.00 0.00 N ATOM 413 CA GLN A 28 15.182 -19.000 -0.942 1.00 0.00 C ATOM 414 C GLN A 28 16.367 -19.328 -1.855 1.00 0.00 C ATOM 415 O GLN A 28 17.502 -19.473 -1.399 1.00 0.00 O ATOM 416 CB GLN A 28 15.500 -19.434 0.495 1.00 0.00 C ATOM 417 CG GLN A 28 14.298 -19.378 1.426 1.00 0.00 C ATOM 418 CD GLN A 28 14.063 -20.674 2.180 1.00 0.00 C ATOM 419 OE1 GLN A 28 14.589 -21.727 1.816 1.00 0.00 O ATOM 420 NE2 GLN A 28 13.263 -20.601 3.239 1.00 0.00 N ATOM 0 H GLN A 28 13.240 -19.015 -1.753 1.00 0.00 H new ATOM 0 HA GLN A 28 15.017 -17.923 -0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.891 -20.451 0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.288 -18.795 0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.439 -18.569 2.143 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.408 -19.137 0.845 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.849 -19.708 3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.063 -21.438 3.786 1.00 0.00 H new ATOM 429 N GLN A 29 16.090 -19.399 -3.157 1.00 0.00 N ATOM 430 CA GLN A 29 17.117 -19.663 -4.165 1.00 0.00 C ATOM 431 C GLN A 29 17.196 -18.480 -5.130 1.00 0.00 C ATOM 432 O GLN A 29 16.168 -17.986 -5.583 1.00 0.00 O ATOM 433 CB GLN A 29 16.800 -20.948 -4.937 1.00 0.00 C ATOM 434 CG GLN A 29 16.846 -22.200 -4.080 1.00 0.00 C ATOM 435 CD GLN A 29 17.381 -23.403 -4.833 1.00 0.00 C ATOM 436 OE1 GLN A 29 17.292 -23.473 -6.059 1.00 0.00 O ATOM 437 NE2 GLN A 29 17.942 -24.357 -4.099 1.00 0.00 N ATOM 0 H GLN A 29 15.153 -19.276 -3.541 1.00 0.00 H new ATOM 0 HA GLN A 29 18.077 -19.793 -3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.809 -20.859 -5.382 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.510 -21.053 -5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.471 -22.015 -3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.844 -22.422 -3.713 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.994 -24.256 -3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 29 18.321 -25.190 -4.549 1.00 0.00 H new ATOM 446 N PHE A 30 18.406 -18.008 -5.434 1.00 0.00 N ATOM 447 CA PHE A 30 18.563 -16.861 -6.332 1.00 0.00 C ATOM 448 C PHE A 30 18.720 -17.290 -7.791 1.00 0.00 C ATOM 449 O PHE A 30 19.598 -18.087 -8.130 1.00 0.00 O ATOM 450 CB PHE A 30 19.766 -16.005 -5.918 1.00 0.00 C ATOM 451 CG PHE A 30 19.704 -15.524 -4.495 1.00 0.00 C ATOM 452 CD1 PHE A 30 19.983 -16.382 -3.444 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.361 -14.211 -4.210 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.920 -15.941 -2.136 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.297 -13.766 -2.903 1.00 0.00 C ATOM 456 CZ PHE A 30 19.577 -14.631 -1.865 1.00 0.00 C ATOM 0 H PHE A 30 19.280 -18.395 -5.078 1.00 0.00 H new ATOM 0 HA PHE A 30 17.651 -16.270 -6.248 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.678 -16.585 -6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 30 19.833 -15.143 -6.581 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.253 -17.407 -3.649 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.142 -13.529 -5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 30 20.139 -16.621 -1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.028 -12.741 -2.694 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.528 -14.284 -0.843 1.00 0.00 H new ATOM 466 N VAL A 31 17.859 -16.742 -8.648 1.00 0.00 N ATOM 467 CA VAL A 31 17.888 -17.041 -10.074 1.00 0.00 C ATOM 468 C VAL A 31 17.911 -15.756 -10.901 1.00 0.00 C ATOM 469 O VAL A 31 17.430 -14.712 -10.459 1.00 0.00 O ATOM 470 CB VAL A 31 16.674 -17.894 -10.500 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.835 -19.325 -10.013 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.382 -17.288 -9.973 1.00 0.00 C ATOM 0 H VAL A 31 17.129 -16.084 -8.374 1.00 0.00 H new ATOM 0 HA VAL A 31 18.799 -17.609 -10.260 1.00 0.00 H new ATOM 0 HB VAL A 31 16.624 -17.905 -11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.971 -19.914 -10.321 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.740 -19.756 -10.442 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.910 -19.333 -8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.538 -17.904 -10.284 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.418 -17.245 -8.884 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.263 -16.281 -10.373 1.00 0.00 H new ATOM 482 N SER A 32 18.502 -15.831 -12.089 1.00 0.00 N ATOM 483 CA SER A 32 18.615 -14.666 -12.967 1.00 0.00 C ATOM 484 C SER A 32 17.265 -14.273 -13.564 1.00 0.00 C ATOM 485 O SER A 32 16.519 -15.114 -14.065 1.00 0.00 O ATOM 486 CB SER A 32 19.619 -14.945 -14.085 1.00 0.00 C ATOM 487 OG SER A 32 19.034 -15.723 -15.113 1.00 0.00 O ATOM 0 H SER A 32 18.911 -16.685 -12.468 1.00 0.00 H new ATOM 0 HA SER A 32 18.967 -13.830 -12.362 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.979 -14.003 -14.498 1.00 0.00 H new ATOM 0 HB3 SER A 32 20.485 -15.467 -13.678 1.00 0.00 H new ATOM 0 HG SER A 32 19.696 -15.886 -15.817 1.00 0.00 H new ATOM 493 N THR A 33 16.971 -12.973 -13.500 1.00 0.00 N ATOM 494 CA THR A 33 15.723 -12.420 -14.017 1.00 0.00 C ATOM 495 C THR A 33 15.978 -11.060 -14.667 1.00 0.00 C ATOM 496 O THR A 33 17.019 -10.443 -14.440 1.00 0.00 O ATOM 497 CB THR A 33 14.691 -12.282 -12.897 1.00 0.00 C ATOM 498 OG1 THR A 33 13.547 -11.584 -13.356 1.00 0.00 O ATOM 499 CG2 THR A 33 15.220 -11.553 -11.682 1.00 0.00 C ATOM 0 H THR A 33 17.592 -12.277 -13.088 1.00 0.00 H new ATOM 0 HA THR A 33 15.329 -13.103 -14.769 1.00 0.00 H new ATOM 0 HB THR A 33 14.441 -13.302 -12.605 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.054 -12.145 -13.990 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.437 -11.490 -10.926 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.074 -12.095 -11.276 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.530 -10.548 -11.967 1.00 0.00 H new ATOM 507 N LYS A 34 15.040 -10.601 -15.487 1.00 0.00 N ATOM 508 CA LYS A 34 15.199 -9.325 -16.172 1.00 0.00 C ATOM 509 C LYS A 34 13.873 -8.583 -16.305 1.00 0.00 C ATOM 510 O LYS A 34 12.801 -9.186 -16.327 1.00 0.00 O ATOM 511 CB LYS A 34 15.802 -9.549 -17.561 1.00 0.00 C ATOM 512 CG LYS A 34 16.371 -8.287 -18.195 1.00 0.00 C ATOM 513 CD LYS A 34 16.585 -8.457 -19.694 1.00 0.00 C ATOM 514 CE LYS A 34 17.715 -9.427 -19.997 1.00 0.00 C ATOM 515 NZ LYS A 34 17.212 -10.805 -20.243 1.00 0.00 N ATOM 0 H LYS A 34 14.168 -11.089 -15.692 1.00 0.00 H new ATOM 0 HA LYS A 34 15.869 -8.711 -15.571 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.593 -10.296 -17.487 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.035 -9.960 -18.218 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.693 -7.452 -18.016 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.318 -8.036 -17.718 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.664 -8.816 -20.154 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.808 -7.488 -20.141 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.266 -9.080 -20.871 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.416 -9.440 -19.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.892 -11.322 -20.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.098 -11.300 -19.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.294 -10.758 -20.730 1.00 0.00 H new ATOM 529 N ILE A 35 13.971 -7.263 -16.416 1.00 0.00 N ATOM 530 CA ILE A 35 12.807 -6.398 -16.568 1.00 0.00 C ATOM 531 C ILE A 35 13.106 -5.372 -17.654 1.00 0.00 C ATOM 532 O ILE A 35 14.126 -4.688 -17.595 1.00 0.00 O ATOM 533 CB ILE A 35 12.475 -5.684 -15.241 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.223 -4.819 -15.378 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.656 -4.846 -14.779 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.975 -5.489 -14.853 1.00 0.00 C ATOM 0 H ILE A 35 14.860 -6.762 -16.403 1.00 0.00 H new ATOM 0 HA ILE A 35 11.942 -7.000 -16.847 1.00 0.00 H new ATOM 0 HB ILE A 35 12.274 -6.447 -14.489 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.377 -3.882 -14.843 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.077 -4.566 -16.428 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.405 -4.349 -13.842 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.522 -5.490 -14.628 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.889 -4.097 -15.536 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.123 -4.822 -14.980 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.798 -6.412 -15.405 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.102 -5.717 -13.795 1.00 0.00 H new ATOM 548 N ASN A 36 12.244 -5.277 -18.664 1.00 0.00 N ATOM 549 CA ASN A 36 12.478 -4.348 -19.765 1.00 0.00 C ATOM 550 C ASN A 36 11.895 -2.973 -19.452 1.00 0.00 C ATOM 551 O ASN A 36 10.685 -2.830 -19.280 1.00 0.00 O ATOM 552 CB ASN A 36 11.848 -4.896 -21.043 1.00 0.00 C ATOM 553 CG ASN A 36 12.471 -4.307 -22.293 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.086 -3.238 -22.252 1.00 0.00 O ATOM 555 ND2 ASN A 36 12.317 -5.006 -23.412 1.00 0.00 N ATOM 0 H ASN A 36 11.387 -5.825 -18.742 1.00 0.00 H new ATOM 0 HA ASN A 36 13.554 -4.242 -19.903 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.957 -5.980 -21.062 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.779 -4.683 -21.038 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.716 -4.664 -24.286 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.800 -5.885 -23.397 1.00 0.00 H new ATOM 562 N LEU A 37 12.756 -1.967 -19.379 1.00 0.00 N ATOM 563 CA LEU A 37 12.315 -0.610 -19.080 1.00 0.00 C ATOM 564 C LEU A 37 11.917 0.159 -20.347 1.00 0.00 C ATOM 565 O LEU A 37 11.292 1.217 -20.255 1.00 0.00 O ATOM 566 CB LEU A 37 13.411 0.148 -18.324 1.00 0.00 C ATOM 567 CG LEU A 37 13.968 -0.575 -17.091 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.088 -1.528 -17.484 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.458 0.431 -16.055 1.00 0.00 C ATOM 0 H LEU A 37 13.761 -2.064 -19.522 1.00 0.00 H new ATOM 0 HA LEU A 37 11.428 -0.686 -18.452 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.233 0.348 -19.011 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.014 1.114 -18.012 1.00 0.00 H new ATOM 0 HG LEU A 37 13.163 -1.161 -16.647 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.468 -2.030 -16.594 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.705 -2.271 -18.184 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.894 -0.967 -17.956 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.849 -0.101 -15.188 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.246 1.046 -16.489 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.629 1.068 -15.746 1.00 0.00 H new ATOM 581 N ASP A 38 12.314 -0.339 -21.525 1.00 0.00 N ATOM 582 CA ASP A 38 12.014 0.357 -22.781 1.00 0.00 C ATOM 583 C ASP A 38 10.511 0.574 -22.988 1.00 0.00 C ATOM 584 O ASP A 38 10.087 1.669 -23.354 1.00 0.00 O ATOM 585 CB ASP A 38 12.620 -0.389 -23.985 1.00 0.00 C ATOM 586 CG ASP A 38 11.788 -1.572 -24.457 1.00 0.00 C ATOM 587 OD1 ASP A 38 11.221 -2.282 -23.602 1.00 0.00 O ATOM 588 OD2 ASP A 38 11.715 -1.792 -25.686 1.00 0.00 O ATOM 0 H ASP A 38 12.836 -1.208 -21.634 1.00 0.00 H new ATOM 0 HA ASP A 38 12.475 1.342 -22.708 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.740 0.311 -24.811 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.616 -0.741 -23.718 1.00 0.00 H new ATOM 593 N ASP A 39 9.700 -0.448 -22.737 1.00 0.00 N ATOM 594 CA ASP A 39 8.249 -0.318 -22.890 1.00 0.00 C ATOM 595 C ASP A 39 7.590 0.104 -21.579 1.00 0.00 C ATOM 596 O ASP A 39 6.410 0.440 -21.554 1.00 0.00 O ATOM 597 CB ASP A 39 7.611 -1.611 -23.401 1.00 0.00 C ATOM 598 CG ASP A 39 8.446 -2.307 -24.460 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.750 -1.671 -25.491 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.788 -3.491 -24.259 1.00 0.00 O ATOM 0 H ASP A 39 10.015 -1.368 -22.430 1.00 0.00 H new ATOM 0 HA ASP A 39 8.081 0.460 -23.634 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.458 -2.290 -22.562 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.627 -1.386 -23.812 1.00 0.00 H new ATOM 605 N HIS A 40 8.349 0.089 -20.486 1.00 0.00 N ATOM 606 CA HIS A 40 7.815 0.483 -19.185 1.00 0.00 C ATOM 607 C HIS A 40 8.095 1.961 -18.958 1.00 0.00 C ATOM 608 O HIS A 40 7.175 2.777 -18.872 1.00 0.00 O ATOM 609 CB HIS A 40 8.448 -0.358 -18.070 1.00 0.00 C ATOM 610 CG HIS A 40 7.661 -1.588 -17.741 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.355 -1.545 -17.298 1.00 0.00 N ATOM 612 CD2 HIS A 40 7.985 -2.904 -17.814 1.00 0.00 C ATOM 613 CE1 HIS A 40 5.912 -2.776 -17.116 1.00 0.00 C ATOM 614 NE2 HIS A 40 6.880 -3.619 -17.421 1.00 0.00 N ATOM 0 H HIS A 40 9.330 -0.190 -20.475 1.00 0.00 H new ATOM 0 HA HIS A 40 6.739 0.312 -19.169 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.455 -0.648 -18.370 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.546 0.254 -17.173 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.935 -3.313 -18.124 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.924 -3.047 -16.775 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.818 -4.636 -17.373 1.00 0.00 H new ATOM 623 N ILE A 41 9.378 2.299 -18.888 1.00 0.00 N ATOM 624 CA ILE A 41 9.798 3.678 -18.703 1.00 0.00 C ATOM 625 C ILE A 41 9.820 4.425 -20.033 1.00 0.00 C ATOM 626 O ILE A 41 9.971 3.826 -21.095 1.00 0.00 O ATOM 627 CB ILE A 41 11.186 3.764 -18.049 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.217 2.924 -16.772 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.543 5.214 -17.753 1.00 0.00 C ATOM 630 CD1 ILE A 41 12.541 2.976 -16.045 1.00 0.00 C ATOM 0 H ILE A 41 10.146 1.631 -18.957 1.00 0.00 H new ATOM 0 HA ILE A 41 9.070 4.145 -18.039 1.00 0.00 H new ATOM 0 HB ILE A 41 11.929 3.367 -18.741 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.430 3.269 -16.101 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.990 1.888 -17.023 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.529 5.259 -17.290 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.552 5.783 -18.682 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.804 5.639 -17.074 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.489 2.357 -15.149 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.330 2.603 -16.698 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.761 4.006 -15.762 1.00 0.00 H new ATOM 642 N ALA A 42 9.656 5.736 -19.950 1.00 0.00 N ATOM 643 CA ALA A 42 9.651 6.595 -21.135 1.00 0.00 C ATOM 644 C ALA A 42 10.354 7.921 -20.860 1.00 0.00 C ATOM 645 O ALA A 42 10.718 8.214 -19.723 1.00 0.00 O ATOM 646 CB ALA A 42 8.222 6.831 -21.600 1.00 0.00 C ATOM 0 H ALA A 42 9.523 6.236 -19.071 1.00 0.00 H new ATOM 0 HA ALA A 42 10.202 6.088 -21.928 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.227 7.471 -22.482 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.757 5.876 -21.847 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.656 7.315 -20.804 1.00 0.00 H new ATOM 652 N ASN A 43 10.556 8.711 -21.912 1.00 0.00 N ATOM 653 CA ASN A 43 11.224 10.008 -21.791 1.00 0.00 C ATOM 654 C ASN A 43 10.244 11.147 -22.075 1.00 0.00 C ATOM 655 O ASN A 43 9.795 11.325 -23.208 1.00 0.00 O ATOM 656 CB ASN A 43 12.403 10.076 -22.762 1.00 0.00 C ATOM 657 CG ASN A 43 13.142 11.398 -22.705 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.883 11.670 -21.760 1.00 0.00 O ATOM 659 ND2 ASN A 43 12.943 12.226 -23.725 1.00 0.00 N ATOM 0 H ASN A 43 10.266 8.476 -22.861 1.00 0.00 H new ATOM 0 HA ASN A 43 11.592 10.117 -20.771 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.099 9.267 -22.537 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.041 9.912 -23.777 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.414 13.131 -23.747 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.319 11.957 -24.486 1.00 0.00 H new ATOM 666 N ILE A 44 9.913 11.915 -21.039 1.00 0.00 N ATOM 667 CA ILE A 44 8.982 13.034 -21.174 1.00 0.00 C ATOM 668 C ILE A 44 9.708 14.369 -20.986 1.00 0.00 C ATOM 669 O ILE A 44 9.795 14.894 -19.875 1.00 0.00 O ATOM 670 CB ILE A 44 7.820 12.902 -20.157 1.00 0.00 C ATOM 671 CG1 ILE A 44 6.984 11.661 -20.480 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.932 14.141 -20.151 1.00 0.00 C ATOM 673 CD1 ILE A 44 7.726 10.356 -20.290 1.00 0.00 C ATOM 0 H ILE A 44 10.276 11.783 -20.095 1.00 0.00 H new ATOM 0 HA ILE A 44 8.565 13.009 -22.181 1.00 0.00 H new ATOM 0 HB ILE A 44 8.256 12.802 -19.163 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.096 11.658 -19.848 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.640 11.725 -21.512 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.129 14.010 -19.425 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.527 15.014 -19.880 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.504 14.287 -21.143 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.068 9.524 -20.539 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.599 10.335 -20.942 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.047 10.268 -19.252 1.00 0.00 H new ATOM 685 N ASP A 45 10.233 14.904 -22.090 1.00 0.00 N ATOM 686 CA ASP A 45 10.964 16.172 -22.074 1.00 0.00 C ATOM 687 C ASP A 45 12.286 16.037 -21.320 1.00 0.00 C ATOM 688 O ASP A 45 12.692 16.943 -20.589 1.00 0.00 O ATOM 689 CB ASP A 45 10.113 17.286 -21.449 1.00 0.00 C ATOM 690 CG ASP A 45 10.709 18.667 -21.662 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.885 18.752 -22.077 1.00 0.00 O ATOM 692 OD2 ASP A 45 9.999 19.665 -21.413 1.00 0.00 O ATOM 0 H ASP A 45 10.164 14.475 -23.013 1.00 0.00 H new ATOM 0 HA ASP A 45 11.183 16.438 -23.108 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.111 17.257 -21.878 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.008 17.101 -20.380 1.00 0.00 H new ATOM 697 N GLY A 46 12.958 14.906 -21.508 1.00 0.00 N ATOM 698 CA GLY A 46 14.233 14.682 -20.850 1.00 0.00 C ATOM 699 C GLY A 46 14.094 14.170 -19.425 1.00 0.00 C ATOM 700 O GLY A 46 15.097 13.985 -18.731 1.00 0.00 O ATOM 0 H GLY A 46 12.643 14.140 -22.104 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.813 13.965 -21.431 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.797 15.614 -20.840 1.00 0.00 H new ATOM 704 N THR A 47 12.862 13.940 -18.979 1.00 0.00 N ATOM 705 CA THR A 47 12.618 13.454 -17.623 1.00 0.00 C ATOM 706 C THR A 47 12.125 12.008 -17.633 1.00 0.00 C ATOM 707 O THR A 47 11.298 11.631 -18.462 1.00 0.00 O ATOM 708 CB THR A 47 11.585 14.344 -16.931 1.00 0.00 C ATOM 709 OG1 THR A 47 11.856 15.710 -17.179 1.00 0.00 O ATOM 710 CG2 THR A 47 11.535 14.148 -15.432 1.00 0.00 C ATOM 0 H THR A 47 12.019 14.082 -19.535 1.00 0.00 H new ATOM 0 HA THR A 47 13.560 13.490 -17.076 1.00 0.00 H new ATOM 0 HB THR A 47 10.622 14.051 -17.350 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.184 16.264 -16.730 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.782 14.809 -15.004 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.278 13.113 -15.209 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.509 14.381 -15.002 1.00 0.00 H new ATOM 718 N LEU A 48 12.666 11.195 -16.730 1.00 0.00 N ATOM 719 CA LEU A 48 12.307 9.782 -16.668 1.00 0.00 C ATOM 720 C LEU A 48 10.948 9.580 -16.006 1.00 0.00 C ATOM 721 O LEU A 48 10.752 9.877 -14.828 1.00 0.00 O ATOM 722 CB LEU A 48 13.373 8.992 -15.902 1.00 0.00 C ATOM 723 CG LEU A 48 14.639 8.658 -16.694 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.779 8.315 -15.746 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.380 7.510 -17.659 1.00 0.00 C ATOM 0 H LEU A 48 13.351 11.489 -16.034 1.00 0.00 H new ATOM 0 HA LEU A 48 12.249 9.414 -17.692 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.658 9.562 -15.018 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.928 8.061 -15.551 1.00 0.00 H new ATOM 0 HG LEU A 48 14.925 9.534 -17.277 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.673 8.079 -16.323 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.980 9.166 -15.096 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.501 7.453 -15.139 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.292 7.287 -18.213 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.071 6.627 -17.100 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.592 7.792 -18.357 1.00 0.00 H new ATOM 737 N LYS A 49 10.020 9.057 -16.804 1.00 0.00 N ATOM 738 CA LYS A 49 8.660 8.781 -16.367 1.00 0.00 C ATOM 739 C LYS A 49 8.196 7.451 -16.944 1.00 0.00 C ATOM 740 O LYS A 49 8.802 6.934 -17.881 1.00 0.00 O ATOM 741 CB LYS A 49 7.714 9.899 -16.794 1.00 0.00 C ATOM 742 CG LYS A 49 8.212 11.283 -16.422 1.00 0.00 C ATOM 743 CD LYS A 49 7.063 12.261 -16.272 1.00 0.00 C ATOM 744 CE LYS A 49 7.519 13.559 -15.630 1.00 0.00 C ATOM 745 NZ LYS A 49 6.500 14.633 -15.781 1.00 0.00 N ATOM 0 H LYS A 49 10.195 8.812 -17.779 1.00 0.00 H new ATOM 0 HA LYS A 49 8.649 8.726 -15.278 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.570 9.851 -17.873 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.739 9.736 -16.334 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.772 11.231 -15.488 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.900 11.642 -17.187 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.631 12.470 -17.251 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.277 11.810 -15.666 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.718 13.392 -14.571 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.457 13.880 -16.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.845 15.505 -15.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.329 14.810 -16.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.613 14.336 -15.326 1.00 0.00 H new ATOM 759 N TRP A 50 7.130 6.893 -16.386 1.00 0.00 N ATOM 760 CA TRP A 50 6.617 5.612 -16.861 1.00 0.00 C ATOM 761 C TRP A 50 5.597 5.783 -17.999 1.00 0.00 C ATOM 762 O TRP A 50 4.630 6.538 -17.873 1.00 0.00 O ATOM 763 CB TRP A 50 5.994 4.841 -15.700 1.00 0.00 C ATOM 764 CG TRP A 50 7.019 4.229 -14.798 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.758 3.109 -15.046 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.432 4.706 -13.511 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.601 2.859 -13.992 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.419 3.822 -13.037 1.00 0.00 C ATOM 769 CE3 TRP A 50 7.066 5.791 -12.712 1.00 0.00 C ATOM 770 CZ2 TRP A 50 9.040 3.990 -11.803 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.685 5.956 -11.487 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.660 5.060 -11.043 1.00 0.00 C ATOM 0 H TRP A 50 6.607 7.301 -15.611 1.00 0.00 H new ATOM 0 HA TRP A 50 7.457 5.047 -17.265 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.361 5.513 -15.121 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.348 4.056 -16.095 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.690 2.508 -15.940 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.257 2.081 -13.931 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.312 6.489 -13.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.795 3.299 -11.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.410 6.793 -10.862 1.00 0.00 H new ATOM 0 HH2 TRP A 50 9.123 5.216 -10.080 1.00 0.00 H new ATOM 783 N GLN A 51 5.833 5.076 -19.110 1.00 0.00 N ATOM 784 CA GLN A 51 4.954 5.135 -20.286 1.00 0.00 C ATOM 785 C GLN A 51 5.401 4.121 -21.342 1.00 0.00 C ATOM 786 O GLN A 51 6.581 3.780 -21.412 1.00 0.00 O ATOM 787 CB GLN A 51 4.970 6.542 -20.890 1.00 0.00 C ATOM 788 CG GLN A 51 3.896 7.454 -20.329 1.00 0.00 C ATOM 789 CD GLN A 51 2.968 8.003 -21.396 1.00 0.00 C ATOM 790 OE1 GLN A 51 1.868 7.488 -21.603 1.00 0.00 O ATOM 791 NE2 GLN A 51 3.405 9.054 -22.079 1.00 0.00 N ATOM 0 H GLN A 51 6.632 4.451 -19.220 1.00 0.00 H new ATOM 0 HA GLN A 51 3.941 4.892 -19.967 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.947 6.993 -20.714 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.844 6.467 -21.970 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.309 6.905 -19.592 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.369 8.284 -19.805 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.323 9.449 -21.875 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.823 9.467 -22.808 1.00 0.00 H new ATOM 800 N PRO A 52 4.472 3.614 -22.182 1.00 0.00 N ATOM 801 CA PRO A 52 4.814 2.632 -23.215 1.00 0.00 C ATOM 802 C PRO A 52 5.561 3.256 -24.388 1.00 0.00 C ATOM 803 O PRO A 52 5.069 3.297 -25.517 1.00 0.00 O ATOM 804 CB PRO A 52 3.459 2.080 -23.647 1.00 0.00 C ATOM 805 CG PRO A 52 2.496 3.185 -23.385 1.00 0.00 C ATOM 806 CD PRO A 52 3.031 3.946 -22.194 1.00 0.00 C ATOM 0 HA PRO A 52 5.491 1.863 -22.842 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.463 1.801 -24.701 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.198 1.186 -23.081 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.407 3.837 -24.254 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.501 2.792 -23.179 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.868 5.019 -22.299 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.542 3.638 -21.270 1.00 0.00 H new ATOM 814 N SER A 53 6.766 3.720 -24.093 1.00 0.00 N ATOM 815 CA SER A 53 7.650 4.338 -25.074 1.00 0.00 C ATOM 816 C SER A 53 9.063 4.338 -24.500 1.00 0.00 C ATOM 817 O SER A 53 9.248 4.661 -23.331 1.00 0.00 O ATOM 818 CB SER A 53 7.193 5.762 -25.393 1.00 0.00 C ATOM 819 OG SER A 53 6.758 6.434 -24.222 1.00 0.00 O ATOM 0 H SER A 53 7.164 3.678 -23.155 1.00 0.00 H new ATOM 0 HA SER A 53 7.626 3.775 -26.007 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.013 6.316 -25.851 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.382 5.732 -26.121 1.00 0.00 H new ATOM 0 HG SER A 53 6.473 7.343 -24.453 1.00 0.00 H new ATOM 825 N ASN A 54 10.050 3.929 -25.290 1.00 0.00 N ATOM 826 CA ASN A 54 11.427 3.844 -24.788 1.00 0.00 C ATOM 827 C ASN A 54 12.135 5.194 -24.738 1.00 0.00 C ATOM 828 O ASN A 54 12.434 5.800 -25.769 1.00 0.00 O ATOM 829 CB ASN A 54 12.271 2.870 -25.617 1.00 0.00 C ATOM 830 CG ASN A 54 11.456 1.795 -26.313 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.549 1.207 -25.725 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.790 1.524 -27.571 1.00 0.00 N ATOM 0 H ASN A 54 9.932 3.654 -26.265 1.00 0.00 H new ATOM 0 HA ASN A 54 11.334 3.475 -23.767 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.828 3.433 -26.366 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.004 2.393 -24.966 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.287 0.803 -28.088 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.549 2.037 -28.019 1.00 0.00 H new ATOM 839 N PHE A 55 12.440 5.630 -23.517 1.00 0.00 N ATOM 840 CA PHE A 55 13.159 6.876 -23.285 1.00 0.00 C ATOM 841 C PHE A 55 14.404 6.947 -24.174 1.00 0.00 C ATOM 842 O PHE A 55 14.860 8.027 -24.553 1.00 0.00 O ATOM 843 CB PHE A 55 13.569 6.974 -21.806 1.00 0.00 C ATOM 844 CG PHE A 55 14.337 5.777 -21.300 1.00 0.00 C ATOM 845 CD1 PHE A 55 15.720 5.728 -21.403 1.00 0.00 C ATOM 846 CD2 PHE A 55 13.676 4.703 -20.721 1.00 0.00 C ATOM 847 CE1 PHE A 55 16.427 4.633 -20.939 1.00 0.00 C ATOM 848 CE2 PHE A 55 14.380 3.605 -20.256 1.00 0.00 C ATOM 849 CZ PHE A 55 15.756 3.571 -20.365 1.00 0.00 C ATOM 0 H PHE A 55 12.195 5.128 -22.663 1.00 0.00 H new ATOM 0 HA PHE A 55 12.503 7.710 -23.534 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.177 7.868 -21.667 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.673 7.101 -21.199 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.251 6.555 -21.851 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.600 4.724 -20.632 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.503 4.609 -21.026 1.00 0.00 H new ATOM 0 HE2 PHE A 55 13.853 2.775 -19.808 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.307 2.716 -20.002 1.00 0.00 H new ATOM 859 N SER A 56 14.948 5.769 -24.488 1.00 0.00 N ATOM 860 CA SER A 56 16.158 5.641 -25.304 1.00 0.00 C ATOM 861 C SER A 56 16.102 6.449 -26.604 1.00 0.00 C ATOM 862 O SER A 56 17.138 6.723 -27.209 1.00 0.00 O ATOM 863 CB SER A 56 16.420 4.167 -25.621 1.00 0.00 C ATOM 864 OG SER A 56 15.360 3.604 -26.373 1.00 0.00 O ATOM 0 H SER A 56 14.561 4.876 -24.183 1.00 0.00 H new ATOM 0 HA SER A 56 16.976 6.053 -24.713 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.353 4.073 -26.177 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.545 3.610 -24.692 1.00 0.00 H new ATOM 0 HG SER A 56 15.557 2.663 -26.562 1.00 0.00 H new ATOM 870 N GLN A 57 14.905 6.834 -27.038 1.00 0.00 N ATOM 871 CA GLN A 57 14.766 7.601 -28.274 1.00 0.00 C ATOM 872 C GLN A 57 15.516 8.934 -28.170 1.00 0.00 C ATOM 873 O GLN A 57 15.952 9.482 -29.182 1.00 0.00 O ATOM 874 CB GLN A 57 13.283 7.852 -28.583 1.00 0.00 C ATOM 875 CG GLN A 57 12.494 6.584 -28.882 1.00 0.00 C ATOM 876 CD GLN A 57 11.484 6.765 -30.000 1.00 0.00 C ATOM 877 OE1 GLN A 57 10.841 7.809 -30.113 1.00 0.00 O ATOM 878 NE2 GLN A 57 11.335 5.740 -30.832 1.00 0.00 N ATOM 0 H GLN A 57 14.027 6.631 -26.560 1.00 0.00 H new ATOM 0 HA GLN A 57 15.202 7.021 -29.088 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.826 8.362 -27.735 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.208 8.525 -29.437 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.187 5.786 -29.151 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.975 6.264 -27.979 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.888 4.893 -30.702 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.667 5.800 -31.601 1.00 0.00 H new ATOM 887 N THR A 58 15.678 9.443 -26.943 1.00 0.00 N ATOM 888 CA THR A 58 16.393 10.705 -26.728 1.00 0.00 C ATOM 889 C THR A 58 17.446 10.578 -25.618 1.00 0.00 C ATOM 890 O THR A 58 18.094 11.562 -25.263 1.00 0.00 O ATOM 891 CB THR A 58 15.423 11.830 -26.335 1.00 0.00 C ATOM 892 OG1 THR A 58 15.111 11.760 -24.956 1.00 0.00 O ATOM 893 CG2 THR A 58 14.108 11.810 -27.082 1.00 0.00 C ATOM 0 H THR A 58 15.327 9.005 -26.091 1.00 0.00 H new ATOM 0 HA THR A 58 16.884 10.944 -27.671 1.00 0.00 H new ATOM 0 HB THR A 58 15.952 12.747 -26.594 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.237 12.642 -24.547 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.484 12.637 -26.743 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.295 11.911 -28.151 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.595 10.867 -26.891 1.00 0.00 H new ATOM 901 N CYS A 59 17.594 9.386 -25.043 1.00 0.00 N ATOM 902 CA CYS A 59 18.546 9.188 -23.954 1.00 0.00 C ATOM 903 C CYS A 59 19.694 8.263 -24.344 1.00 0.00 C ATOM 904 O CYS A 59 19.526 7.332 -25.134 1.00 0.00 O ATOM 905 CB CYS A 59 17.827 8.629 -22.724 1.00 0.00 C ATOM 906 SG CYS A 59 16.223 9.424 -22.379 1.00 0.00 S ATOM 0 H CYS A 59 17.072 8.551 -25.310 1.00 0.00 H new ATOM 0 HA CYS A 59 18.976 10.163 -23.723 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.669 7.560 -22.863 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.473 8.745 -21.854 1.00 0.00 H new ATOM 911 N TYR A 60 20.864 8.536 -23.770 1.00 0.00 N ATOM 912 CA TYR A 60 22.066 7.746 -24.022 1.00 0.00 C ATOM 913 C TYR A 60 22.865 7.581 -22.731 1.00 0.00 C ATOM 914 O TYR A 60 22.708 8.362 -21.791 1.00 0.00 O ATOM 915 CB TYR A 60 22.935 8.409 -25.096 1.00 0.00 C ATOM 916 CG TYR A 60 23.312 9.835 -24.766 1.00 0.00 C ATOM 917 CD1 TYR A 60 24.216 10.119 -23.751 1.00 0.00 C ATOM 918 CD2 TYR A 60 22.756 10.895 -25.465 1.00 0.00 C ATOM 919 CE1 TYR A 60 24.553 11.422 -23.442 1.00 0.00 C ATOM 920 CE2 TYR A 60 23.090 12.202 -25.164 1.00 0.00 C ATOM 921 CZ TYR A 60 23.989 12.459 -24.151 1.00 0.00 C ATOM 922 OH TYR A 60 24.319 13.759 -23.847 1.00 0.00 O ATOM 0 H TYR A 60 21.005 9.309 -23.119 1.00 0.00 H new ATOM 0 HA TYR A 60 21.763 6.763 -24.382 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.844 7.822 -25.231 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.401 8.393 -26.046 1.00 0.00 H new ATOM 0 HD1 TYR A 60 24.662 9.308 -23.195 1.00 0.00 H new ATOM 0 HD2 TYR A 60 22.050 10.696 -26.258 1.00 0.00 H new ATOM 0 HE1 TYR A 60 25.256 11.627 -22.648 1.00 0.00 H new ATOM 0 HE2 TYR A 60 22.649 13.017 -25.719 1.00 0.00 H new ATOM 0 HH TYR A 60 23.798 14.369 -24.410 1.00 0.00 H new ATOM 932 N ASN A 61 23.703 6.549 -22.685 1.00 0.00 N ATOM 933 CA ASN A 61 24.521 6.269 -21.506 1.00 0.00 C ATOM 934 C ASN A 61 23.658 5.899 -20.306 1.00 0.00 C ATOM 935 O ASN A 61 23.867 6.393 -19.199 1.00 0.00 O ATOM 936 CB ASN A 61 25.400 7.472 -21.159 1.00 0.00 C ATOM 937 CG ASN A 61 26.433 7.762 -22.230 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.359 7.235 -23.342 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.401 8.606 -21.900 1.00 0.00 N ATOM 0 H ASN A 61 23.834 5.890 -23.453 1.00 0.00 H new ATOM 0 HA ASN A 61 25.159 5.419 -21.747 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.770 8.350 -21.019 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.906 7.288 -20.211 1.00 0.00 H new ATOM 0 HD21 ASN A 61 28.124 8.843 -22.579 1.00 0.00 H new ATOM 0 HD22 ASN A 61 27.422 9.018 -20.967 1.00 0.00 H new ATOM 946 N SER A 62 22.687 5.029 -20.536 1.00 0.00 N ATOM 947 CA SER A 62 21.795 4.583 -19.476 1.00 0.00 C ATOM 948 C SER A 62 22.550 3.740 -18.459 1.00 0.00 C ATOM 949 O SER A 62 23.343 2.872 -18.823 1.00 0.00 O ATOM 950 CB SER A 62 20.637 3.783 -20.068 1.00 0.00 C ATOM 951 OG SER A 62 19.750 4.626 -20.783 1.00 0.00 O ATOM 0 H SER A 62 22.496 4.617 -21.449 1.00 0.00 H new ATOM 0 HA SER A 62 21.396 5.460 -18.967 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.026 3.011 -20.732 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.097 3.274 -19.270 1.00 0.00 H new ATOM 0 HG SER A 62 19.456 4.173 -21.601 1.00 0.00 H new ATOM 957 N ALA A 63 22.302 4.003 -17.180 1.00 0.00 N ATOM 958 CA ALA A 63 22.962 3.266 -16.109 1.00 0.00 C ATOM 959 C ALA A 63 22.019 3.014 -14.939 1.00 0.00 C ATOM 960 O ALA A 63 21.093 3.788 -14.699 1.00 0.00 O ATOM 961 CB ALA A 63 24.196 4.018 -15.636 1.00 0.00 C ATOM 0 H ALA A 63 21.650 4.720 -16.861 1.00 0.00 H new ATOM 0 HA ALA A 63 23.264 2.298 -16.509 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.680 3.457 -14.836 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.891 4.137 -16.467 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.903 5.000 -15.265 1.00 0.00 H new ATOM 967 N ILE A 64 22.258 1.929 -14.208 1.00 0.00 N ATOM 968 CA ILE A 64 21.424 1.589 -13.064 1.00 0.00 C ATOM 969 C ILE A 64 22.256 1.292 -11.822 1.00 0.00 C ATOM 970 O ILE A 64 23.296 0.635 -11.890 1.00 0.00 O ATOM 971 CB ILE A 64 20.501 0.395 -13.380 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.465 0.835 -14.408 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.808 -0.121 -12.122 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.470 -0.238 -14.763 1.00 0.00 C ATOM 0 H ILE A 64 23.019 1.274 -14.388 1.00 0.00 H new ATOM 0 HA ILE A 64 20.806 2.463 -12.855 1.00 0.00 H new ATOM 0 HB ILE A 64 21.103 -0.421 -13.779 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.929 1.702 -14.022 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.979 1.156 -15.314 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.165 -0.962 -12.380 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.558 -0.445 -11.400 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.205 0.676 -11.686 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.765 0.149 -15.499 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.995 -1.098 -15.180 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.929 -0.543 -13.867 1.00 0.00 H new ATOM 986 N GLN A 65 21.766 1.772 -10.688 1.00 0.00 N ATOM 987 CA GLN A 65 22.422 1.566 -9.405 1.00 0.00 C ATOM 988 C GLN A 65 21.381 1.144 -8.381 1.00 0.00 C ATOM 989 O GLN A 65 20.531 1.938 -7.984 1.00 0.00 O ATOM 990 CB GLN A 65 23.121 2.845 -8.938 1.00 0.00 C ATOM 991 CG GLN A 65 24.263 3.281 -9.841 1.00 0.00 C ATOM 992 CD GLN A 65 24.803 4.650 -9.479 1.00 0.00 C ATOM 993 OE1 GLN A 65 24.807 5.563 -10.302 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.262 4.799 -8.241 1.00 0.00 N ATOM 0 H GLN A 65 20.904 2.314 -10.631 1.00 0.00 H new ATOM 0 HA GLN A 65 23.177 0.788 -9.513 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.388 3.649 -8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.505 2.691 -7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 65 25.069 2.549 -9.781 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.919 3.292 -10.875 1.00 0.00 H new ATOM 0 HE21 GLN A 65 25.239 4.014 -7.591 1.00 0.00 H new ATOM 0 HE22 GLN A 65 25.637 5.699 -7.941 1.00 0.00 H new ATOM 1003 N GLY A 66 21.433 -0.117 -7.977 1.00 0.00 N ATOM 1004 CA GLY A 66 20.463 -0.618 -7.027 1.00 0.00 C ATOM 1005 C GLY A 66 19.070 -0.625 -7.619 1.00 0.00 C ATOM 1006 O GLY A 66 18.819 -1.310 -8.612 1.00 0.00 O ATOM 0 H GLY A 66 22.125 -0.798 -8.288 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.737 -1.628 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.476 0.000 -6.129 1.00 0.00 H new ATOM 1010 N SER A 67 18.150 0.116 -7.010 1.00 0.00 N ATOM 1011 CA SER A 67 16.773 0.155 -7.497 1.00 0.00 C ATOM 1012 C SER A 67 16.474 1.420 -8.303 1.00 0.00 C ATOM 1013 O SER A 67 15.389 1.550 -8.873 1.00 0.00 O ATOM 1014 CB SER A 67 15.799 0.058 -6.321 1.00 0.00 C ATOM 1015 OG SER A 67 15.640 1.316 -5.687 1.00 0.00 O ATOM 0 H SER A 67 18.328 0.692 -6.187 1.00 0.00 H new ATOM 0 HA SER A 67 16.645 -0.698 -8.163 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.832 -0.300 -6.674 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.166 -0.673 -5.600 1.00 0.00 H new ATOM 0 HG SER A 67 14.934 1.824 -6.140 1.00 0.00 H new ATOM 1021 N VAL A 68 17.425 2.349 -8.362 1.00 0.00 N ATOM 1022 CA VAL A 68 17.223 3.590 -9.114 1.00 0.00 C ATOM 1023 C VAL A 68 17.917 3.542 -10.475 1.00 0.00 C ATOM 1024 O VAL A 68 19.047 3.065 -10.592 1.00 0.00 O ATOM 1025 CB VAL A 68 17.729 4.830 -8.344 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.178 6.104 -8.966 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.346 4.757 -6.875 1.00 0.00 C ATOM 0 H VAL A 68 18.334 2.271 -7.905 1.00 0.00 H new ATOM 0 HA VAL A 68 16.146 3.679 -9.256 1.00 0.00 H new ATOM 0 HB VAL A 68 18.817 4.845 -8.412 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.544 6.968 -8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.505 6.174 -10.003 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.089 6.085 -8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.715 5.643 -6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.261 4.710 -6.784 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.787 3.866 -6.428 1.00 0.00 H new ATOM 1037 N LEU A 69 17.233 4.042 -11.500 1.00 0.00 N ATOM 1038 CA LEU A 69 17.780 4.067 -12.852 1.00 0.00 C ATOM 1039 C LEU A 69 18.301 5.465 -13.183 1.00 0.00 C ATOM 1040 O LEU A 69 17.574 6.454 -13.065 1.00 0.00 O ATOM 1041 CB LEU A 69 16.702 3.641 -13.863 1.00 0.00 C ATOM 1042 CG LEU A 69 16.948 4.048 -15.321 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.318 3.581 -15.794 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.853 3.485 -16.220 1.00 0.00 C ATOM 0 H LEU A 69 16.296 4.436 -11.419 1.00 0.00 H new ATOM 0 HA LEU A 69 18.611 3.365 -12.912 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.602 2.556 -13.822 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.748 4.062 -13.545 1.00 0.00 H new ATOM 0 HG LEU A 69 16.924 5.136 -15.379 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.467 3.882 -16.831 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.091 4.031 -15.171 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.378 2.495 -15.720 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.041 3.782 -17.252 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.849 2.397 -16.151 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.885 3.873 -15.901 1.00 0.00 H new ATOM 1056 N THR A 70 19.563 5.547 -13.595 1.00 0.00 N ATOM 1057 CA THR A 70 20.173 6.823 -13.946 1.00 0.00 C ATOM 1058 C THR A 70 20.518 6.839 -15.430 1.00 0.00 C ATOM 1059 O THR A 70 21.193 5.938 -15.920 1.00 0.00 O ATOM 1060 CB THR A 70 21.437 7.048 -13.116 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.241 6.614 -11.782 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.876 8.496 -13.068 1.00 0.00 C ATOM 0 H THR A 70 20.183 4.743 -13.694 1.00 0.00 H new ATOM 0 HA THR A 70 19.465 7.624 -13.734 1.00 0.00 H new ATOM 0 HB THR A 70 22.215 6.468 -13.612 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.060 6.764 -11.266 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.778 8.583 -12.463 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.082 8.847 -14.079 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.084 9.102 -12.628 1.00 0.00 H new ATOM 1070 N SER A 71 20.035 7.843 -16.149 1.00 0.00 N ATOM 1071 CA SER A 71 20.294 7.925 -17.584 1.00 0.00 C ATOM 1072 C SER A 71 20.297 9.374 -18.066 1.00 0.00 C ATOM 1073 O SER A 71 19.642 10.232 -17.472 1.00 0.00 O ATOM 1074 CB SER A 71 19.241 7.113 -18.341 1.00 0.00 C ATOM 1075 OG SER A 71 19.181 7.493 -19.704 1.00 0.00 O ATOM 0 H SER A 71 19.469 8.603 -15.771 1.00 0.00 H new ATOM 0 HA SER A 71 21.283 7.511 -17.781 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.475 6.051 -18.267 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.265 7.257 -17.878 1.00 0.00 H new ATOM 0 HG SER A 71 19.341 6.709 -20.270 1.00 0.00 H new ATOM 1081 N THR A 72 21.028 9.646 -19.149 1.00 0.00 N ATOM 1082 CA THR A 72 21.083 10.994 -19.700 1.00 0.00 C ATOM 1083 C THR A 72 20.035 11.146 -20.802 1.00 0.00 C ATOM 1084 O THR A 72 19.985 10.350 -21.742 1.00 0.00 O ATOM 1085 CB THR A 72 22.481 11.290 -20.254 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.483 10.778 -19.394 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.751 12.766 -20.445 1.00 0.00 C ATOM 0 H THR A 72 21.583 8.956 -19.655 1.00 0.00 H new ATOM 0 HA THR A 72 20.870 11.708 -18.905 1.00 0.00 H new ATOM 0 HB THR A 72 22.511 10.803 -21.229 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.367 10.976 -19.767 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.758 12.904 -20.839 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.027 13.181 -21.146 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.663 13.279 -19.487 1.00 0.00 H new ATOM 1095 N CYS A 73 19.182 12.159 -20.682 1.00 0.00 N ATOM 1096 CA CYS A 73 18.127 12.367 -21.665 1.00 0.00 C ATOM 1097 C CYS A 73 18.125 13.772 -22.243 1.00 0.00 C ATOM 1098 O CYS A 73 18.366 14.755 -21.544 1.00 0.00 O ATOM 1099 CB CYS A 73 16.761 12.088 -21.040 1.00 0.00 C ATOM 1100 SG CYS A 73 16.496 10.345 -20.591 1.00 0.00 S ATOM 0 H CYS A 73 19.200 12.840 -19.923 1.00 0.00 H new ATOM 0 HA CYS A 73 18.326 11.672 -22.481 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.648 12.704 -20.148 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.983 12.395 -21.739 1.00 0.00 H new ATOM 1105 N GLU A 74 17.785 13.849 -23.522 1.00 0.00 N ATOM 1106 CA GLU A 74 17.692 15.120 -24.225 1.00 0.00 C ATOM 1107 C GLU A 74 16.444 15.886 -23.783 1.00 0.00 C ATOM 1108 O GLU A 74 15.361 15.307 -23.684 1.00 0.00 O ATOM 1109 CB GLU A 74 17.654 14.874 -25.733 1.00 0.00 C ATOM 1110 CG GLU A 74 18.084 16.072 -26.561 1.00 0.00 C ATOM 1111 CD GLU A 74 17.433 16.089 -27.930 1.00 0.00 C ATOM 1112 OE1 GLU A 74 17.193 14.996 -28.484 1.00 0.00 O ATOM 1113 OE2 GLU A 74 17.157 17.193 -28.443 1.00 0.00 O ATOM 0 H GLU A 74 17.567 13.036 -24.099 1.00 0.00 H new ATOM 0 HA GLU A 74 18.568 15.722 -23.983 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.301 14.029 -25.970 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.641 14.591 -26.020 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.830 16.989 -26.029 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.168 16.061 -26.677 1.00 0.00 H new ATOM 1120 N ARG A 75 16.590 17.181 -23.522 1.00 0.00 N ATOM 1121 CA ARG A 75 15.458 17.998 -23.094 1.00 0.00 C ATOM 1122 C ARG A 75 14.778 18.649 -24.297 1.00 0.00 C ATOM 1123 O ARG A 75 15.441 19.033 -25.261 1.00 0.00 O ATOM 1124 CB ARG A 75 15.907 19.073 -22.093 1.00 0.00 C ATOM 1125 CG ARG A 75 16.781 18.537 -20.965 1.00 0.00 C ATOM 1126 CD ARG A 75 16.901 19.533 -19.817 1.00 0.00 C ATOM 1127 NE ARG A 75 15.616 20.122 -19.448 1.00 0.00 N ATOM 1128 CZ ARG A 75 14.704 19.509 -18.697 1.00 0.00 C ATOM 1129 NH1 ARG A 75 14.903 18.266 -18.274 1.00 0.00 N ATOM 1130 NH2 ARG A 75 13.585 20.141 -18.374 1.00 0.00 N ATOM 0 H ARG A 75 17.473 17.685 -23.598 1.00 0.00 H new ATOM 0 HA ARG A 75 14.740 17.344 -22.599 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.456 19.848 -22.628 1.00 0.00 H new ATOM 0 HB3 ARG A 75 15.025 19.547 -21.663 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.361 17.603 -20.593 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.774 18.308 -21.352 1.00 0.00 H new ATOM 0 HD2 ARG A 75 17.329 19.032 -18.949 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.592 20.327 -20.100 1.00 0.00 H new ATOM 0 HE ARG A 75 15.405 21.061 -19.787 1.00 0.00 H new ATOM 0 HH11 ARG A 75 15.760 17.773 -18.524 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.199 17.804 -17.699 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.425 21.094 -18.701 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.884 19.675 -17.799 1.00 0.00 H new ATOM 1144 N THR A 76 13.450 18.747 -24.245 1.00 0.00 N ATOM 1145 CA THR A 76 12.667 19.325 -25.337 1.00 0.00 C ATOM 1146 C THR A 76 13.200 20.697 -25.749 1.00 0.00 C ATOM 1147 O THR A 76 13.058 21.107 -26.903 1.00 0.00 O ATOM 1148 CB THR A 76 11.196 19.441 -24.918 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.704 18.194 -24.459 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.285 19.909 -26.033 1.00 0.00 C ATOM 0 H THR A 76 12.891 18.431 -23.453 1.00 0.00 H new ATOM 0 HA THR A 76 12.753 18.662 -26.198 1.00 0.00 H new ATOM 0 HB THR A 76 11.184 20.189 -24.125 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.765 18.290 -24.195 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.261 19.968 -25.665 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.605 20.893 -26.375 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.333 19.203 -26.862 1.00 0.00 H new ATOM 1158 N ASN A 77 13.815 21.403 -24.806 1.00 0.00 N ATOM 1159 CA ASN A 77 14.369 22.725 -25.085 1.00 0.00 C ATOM 1160 C ASN A 77 15.753 22.629 -25.738 1.00 0.00 C ATOM 1161 O ASN A 77 16.389 23.648 -26.014 1.00 0.00 O ATOM 1162 CB ASN A 77 14.457 23.545 -23.799 1.00 0.00 C ATOM 1163 CG ASN A 77 14.703 25.016 -24.069 1.00 0.00 C ATOM 1164 OD1 ASN A 77 14.493 25.499 -25.181 1.00 0.00 O ATOM 1165 ND2 ASN A 77 15.151 25.740 -23.049 1.00 0.00 N ATOM 0 H ASN A 77 13.943 21.085 -23.845 1.00 0.00 H new ATOM 0 HA ASN A 77 13.699 23.223 -25.786 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.531 23.432 -23.235 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.261 23.153 -23.175 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.334 26.736 -23.172 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.312 25.300 -22.143 1.00 0.00 H new ATOM 1172 N GLY A 78 16.216 21.404 -25.984 1.00 0.00 N ATOM 1173 CA GLY A 78 17.516 21.208 -26.603 1.00 0.00 C ATOM 1174 C GLY A 78 18.629 21.033 -25.596 1.00 0.00 C ATOM 1175 O GLY A 78 18.729 21.776 -24.618 1.00 0.00 O ATOM 0 H GLY A 78 15.713 20.544 -25.765 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.476 20.331 -27.249 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.741 22.063 -27.241 1.00 0.00 H new ATOM 1179 N GLY A 79 19.454 20.034 -25.844 1.00 0.00 N ATOM 1180 CA GLY A 79 20.561 19.730 -24.958 1.00 0.00 C ATOM 1181 C GLY A 79 20.404 18.363 -24.331 1.00 0.00 C ATOM 1182 O GLY A 79 19.574 17.573 -24.777 1.00 0.00 O ATOM 0 H GLY A 79 19.378 19.418 -26.653 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.497 19.772 -25.515 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.622 20.486 -24.176 1.00 0.00 H new ATOM 1186 N TYR A 80 21.210 18.074 -23.313 1.00 0.00 N ATOM 1187 CA TYR A 80 21.157 16.778 -22.639 1.00 0.00 C ATOM 1188 C TYR A 80 21.090 16.947 -21.123 1.00 0.00 C ATOM 1189 O TYR A 80 21.727 17.837 -20.562 1.00 0.00 O ATOM 1190 CB TYR A 80 22.387 15.951 -23.015 1.00 0.00 C ATOM 1191 CG TYR A 80 22.595 15.819 -24.510 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.586 15.331 -25.326 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.797 16.188 -25.102 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.765 15.211 -26.689 1.00 0.00 C ATOM 1195 CE2 TYR A 80 23.986 16.071 -26.469 1.00 0.00 C ATOM 1196 CZ TYR A 80 22.967 15.581 -27.256 1.00 0.00 C ATOM 1197 OH TYR A 80 23.146 15.464 -28.615 1.00 0.00 O ATOM 0 H TYR A 80 21.906 18.717 -22.937 1.00 0.00 H new ATOM 0 HA TYR A 80 20.254 16.261 -22.963 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.272 16.409 -22.573 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.292 14.956 -22.580 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.643 15.040 -24.887 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.597 16.572 -24.486 1.00 0.00 H new ATOM 0 HE1 TYR A 80 20.968 14.829 -27.309 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.926 16.362 -26.915 1.00 0.00 H new ATOM 0 HH TYR A 80 24.047 15.768 -28.854 1.00 0.00 H new ATOM 1207 N ASN A 81 20.311 16.087 -20.466 1.00 0.00 N ATOM 1208 CA ASN A 81 20.163 16.136 -19.015 1.00 0.00 C ATOM 1209 C ASN A 81 19.774 14.768 -18.467 1.00 0.00 C ATOM 1210 O ASN A 81 18.851 14.130 -18.969 1.00 0.00 O ATOM 1211 CB ASN A 81 19.113 17.170 -18.613 1.00 0.00 C ATOM 1212 CG ASN A 81 19.175 17.514 -17.136 1.00 0.00 C ATOM 1213 OD1 ASN A 81 20.243 17.481 -16.525 1.00 0.00 O ATOM 1214 ND2 ASN A 81 18.027 17.841 -16.555 1.00 0.00 N ATOM 0 H ASN A 81 19.773 15.348 -20.918 1.00 0.00 H new ATOM 0 HA ASN A 81 21.124 16.426 -18.591 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.256 18.077 -19.201 1.00 0.00 H new ATOM 0 HB3 ASN A 81 18.121 16.788 -18.853 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.007 18.078 -15.563 1.00 0.00 H new ATOM 0 HD22 ASN A 81 17.165 17.855 -17.100 1.00 0.00 H new ATOM 1221 N THR A 82 20.484 14.323 -17.441 1.00 0.00 N ATOM 1222 CA THR A 82 20.212 13.030 -16.829 1.00 0.00 C ATOM 1223 C THR A 82 19.269 13.161 -15.636 1.00 0.00 C ATOM 1224 O THR A 82 19.437 14.036 -14.785 1.00 0.00 O ATOM 1225 CB THR A 82 21.511 12.348 -16.408 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.241 11.213 -15.605 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.442 13.252 -15.632 1.00 0.00 C ATOM 0 H THR A 82 21.254 14.838 -17.014 1.00 0.00 H new ATOM 0 HA THR A 82 19.718 12.411 -17.578 1.00 0.00 H new ATOM 0 HB THR A 82 22.004 12.066 -17.339 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.455 10.744 -15.955 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.345 12.702 -15.365 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.709 14.112 -16.246 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.944 13.594 -14.725 1.00 0.00 H new ATOM 1235 N SER A 83 18.277 12.275 -15.585 1.00 0.00 N ATOM 1236 CA SER A 83 17.294 12.255 -14.513 1.00 0.00 C ATOM 1237 C SER A 83 17.337 10.901 -13.801 1.00 0.00 C ATOM 1238 O SER A 83 17.827 9.910 -14.356 1.00 0.00 O ATOM 1239 CB SER A 83 15.891 12.515 -15.070 1.00 0.00 C ATOM 1240 OG SER A 83 15.353 11.344 -15.658 1.00 0.00 O ATOM 0 H SER A 83 18.135 11.551 -16.289 1.00 0.00 H new ATOM 0 HA SER A 83 17.532 13.043 -13.799 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.236 12.858 -14.269 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.932 13.313 -15.812 1.00 0.00 H new ATOM 0 HG SER A 83 15.189 11.502 -16.611 1.00 0.00 H new ATOM 1246 N SER A 84 16.840 10.864 -12.572 1.00 0.00 N ATOM 1247 CA SER A 84 16.838 9.635 -11.796 1.00 0.00 C ATOM 1248 C SER A 84 15.426 9.275 -11.335 1.00 0.00 C ATOM 1249 O SER A 84 14.613 10.154 -11.043 1.00 0.00 O ATOM 1250 CB SER A 84 17.770 9.778 -10.592 1.00 0.00 C ATOM 1251 OG SER A 84 17.792 11.116 -10.125 1.00 0.00 O ATOM 0 H SER A 84 16.435 11.669 -12.094 1.00 0.00 H new ATOM 0 HA SER A 84 17.197 8.827 -12.433 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.441 9.115 -9.792 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.778 9.469 -10.869 1.00 0.00 H new ATOM 0 HG SER A 84 18.393 11.183 -9.354 1.00 0.00 H new ATOM 1257 N ILE A 85 15.143 7.977 -11.269 1.00 0.00 N ATOM 1258 CA ILE A 85 13.828 7.500 -10.846 1.00 0.00 C ATOM 1259 C ILE A 85 13.930 6.201 -10.046 1.00 0.00 C ATOM 1260 O ILE A 85 14.757 5.344 -10.349 1.00 0.00 O ATOM 1261 CB ILE A 85 12.899 7.289 -12.058 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.478 6.976 -11.596 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.424 6.182 -12.963 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.495 6.832 -12.736 1.00 0.00 C ATOM 0 H ILE A 85 15.805 7.237 -11.502 1.00 0.00 H new ATOM 0 HA ILE A 85 13.404 8.270 -10.202 1.00 0.00 H new ATOM 0 HB ILE A 85 12.880 8.214 -12.634 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.487 6.054 -11.015 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.137 7.769 -10.930 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.750 6.054 -13.810 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.416 6.449 -13.326 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.482 5.250 -12.401 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.505 6.610 -12.337 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.457 7.762 -13.304 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.813 6.020 -13.390 1.00 0.00 H new ATOM 1276 N ASP A 86 13.073 6.058 -9.030 1.00 0.00 N ATOM 1277 CA ASP A 86 13.062 4.854 -8.189 1.00 0.00 C ATOM 1278 C ASP A 86 11.988 3.878 -8.669 1.00 0.00 C ATOM 1279 O ASP A 86 10.798 4.197 -8.656 1.00 0.00 O ATOM 1280 CB ASP A 86 12.814 5.226 -6.723 1.00 0.00 C ATOM 1281 CG ASP A 86 13.198 4.110 -5.769 1.00 0.00 C ATOM 1282 OD1 ASP A 86 14.031 3.261 -6.152 1.00 0.00 O ATOM 1283 OD2 ASP A 86 12.667 4.087 -4.639 1.00 0.00 O ATOM 0 H ASP A 86 12.379 6.759 -8.769 1.00 0.00 H new ATOM 0 HA ASP A 86 14.036 4.372 -8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.384 6.122 -6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.761 5.470 -6.586 1.00 0.00 H new ATOM 1288 N LEU A 87 12.412 2.697 -9.110 1.00 0.00 N ATOM 1289 CA LEU A 87 11.475 1.693 -9.619 1.00 0.00 C ATOM 1290 C LEU A 87 11.068 0.663 -8.559 1.00 0.00 C ATOM 1291 O LEU A 87 10.240 -0.207 -8.829 1.00 0.00 O ATOM 1292 CB LEU A 87 12.065 0.980 -10.837 1.00 0.00 C ATOM 1293 CG LEU A 87 12.822 1.885 -11.815 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.716 1.059 -12.728 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.847 2.720 -12.632 1.00 0.00 C ATOM 0 H LEU A 87 13.391 2.410 -9.127 1.00 0.00 H new ATOM 0 HA LEU A 87 10.572 2.231 -9.907 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.742 0.200 -10.489 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.257 0.484 -11.375 1.00 0.00 H new ATOM 0 HG LEU A 87 13.454 2.561 -11.239 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.245 1.720 -13.415 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.439 0.507 -12.127 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.106 0.357 -13.297 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.402 3.357 -13.321 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.188 2.061 -13.197 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.251 3.342 -11.963 1.00 0.00 H new ATOM 1307 N ASN A 88 11.662 0.729 -7.366 1.00 0.00 N ATOM 1308 CA ASN A 88 11.362 -0.238 -6.304 1.00 0.00 C ATOM 1309 C ASN A 88 9.862 -0.516 -6.174 1.00 0.00 C ATOM 1310 O ASN A 88 9.463 -1.609 -5.769 1.00 0.00 O ATOM 1311 CB ASN A 88 11.882 0.292 -4.966 1.00 0.00 C ATOM 1312 CG ASN A 88 11.737 -0.718 -3.849 1.00 0.00 C ATOM 1313 OD1 ASN A 88 11.189 -0.418 -2.788 1.00 0.00 O ATOM 1314 ND2 ASN A 88 12.228 -1.926 -4.089 1.00 0.00 N ATOM 0 H ASN A 88 12.350 1.437 -7.110 1.00 0.00 H new ATOM 0 HA ASN A 88 11.856 -1.172 -6.571 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.932 0.566 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.340 1.201 -4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 88 12.160 -2.655 -3.378 1.00 0.00 H new ATOM 0 HD22 ASN A 88 12.674 -2.127 -4.984 1.00 0.00 H new ATOM 1321 N SER A 89 9.039 0.468 -6.514 1.00 0.00 N ATOM 1322 CA SER A 89 7.587 0.313 -6.423 1.00 0.00 C ATOM 1323 C SER A 89 6.988 -0.419 -7.631 1.00 0.00 C ATOM 1324 O SER A 89 6.059 -1.213 -7.477 1.00 0.00 O ATOM 1325 CB SER A 89 6.922 1.680 -6.280 1.00 0.00 C ATOM 1326 OG SER A 89 6.887 2.094 -4.927 1.00 0.00 O ATOM 0 H SER A 89 9.347 1.379 -6.854 1.00 0.00 H new ATOM 0 HA SER A 89 7.393 -0.298 -5.542 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.465 2.415 -6.874 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.907 1.637 -6.676 1.00 0.00 H new ATOM 0 HG SER A 89 6.458 2.973 -4.865 1.00 0.00 H new ATOM 1332 N VAL A 90 7.481 -0.113 -8.829 1.00 0.00 N ATOM 1333 CA VAL A 90 6.944 -0.720 -10.048 1.00 0.00 C ATOM 1334 C VAL A 90 7.294 -2.203 -10.197 1.00 0.00 C ATOM 1335 O VAL A 90 6.407 -3.029 -10.416 1.00 0.00 O ATOM 1336 CB VAL A 90 7.375 0.059 -11.318 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.184 1.552 -11.116 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.820 -0.228 -11.701 1.00 0.00 C ATOM 0 H VAL A 90 8.245 0.545 -8.983 1.00 0.00 H new ATOM 0 HA VAL A 90 5.861 -0.656 -9.945 1.00 0.00 H new ATOM 0 HB VAL A 90 6.739 -0.282 -12.135 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.491 2.083 -12.017 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.134 1.760 -10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.790 1.886 -10.274 1.00 0.00 H new ATOM 0 HG21 VAL A 90 9.079 0.339 -12.596 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.478 0.065 -10.883 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.939 -1.293 -11.899 1.00 0.00 H new ATOM 1348 N ILE A 91 8.574 -2.540 -10.108 1.00 0.00 N ATOM 1349 CA ILE A 91 9.002 -3.927 -10.262 1.00 0.00 C ATOM 1350 C ILE A 91 8.860 -4.721 -8.959 1.00 0.00 C ATOM 1351 O ILE A 91 9.034 -4.188 -7.864 1.00 0.00 O ATOM 1352 CB ILE A 91 10.449 -3.997 -10.807 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.504 -3.380 -12.215 1.00 0.00 C ATOM 1354 CG2 ILE A 91 10.970 -5.430 -10.835 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.278 -2.080 -12.275 1.00 0.00 C ATOM 0 H ILE A 91 9.330 -1.879 -9.931 1.00 0.00 H new ATOM 0 HA ILE A 91 8.339 -4.394 -10.991 1.00 0.00 H new ATOM 0 HB ILE A 91 11.092 -3.428 -10.136 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.959 -4.096 -12.899 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.487 -3.205 -12.566 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.988 -5.439 -11.223 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.963 -5.839 -9.825 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.331 -6.037 -11.477 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.276 -1.702 -13.297 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.811 -1.348 -11.616 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.305 -2.253 -11.955 1.00 0.00 H new ATOM 1367 N GLU A 92 8.519 -6.002 -9.103 1.00 0.00 N ATOM 1368 CA GLU A 92 8.315 -6.899 -7.969 1.00 0.00 C ATOM 1369 C GLU A 92 8.988 -8.237 -8.238 1.00 0.00 C ATOM 1370 O GLU A 92 9.362 -8.525 -9.374 1.00 0.00 O ATOM 1371 CB GLU A 92 6.816 -7.132 -7.758 1.00 0.00 C ATOM 1372 CG GLU A 92 6.442 -7.512 -6.334 1.00 0.00 C ATOM 1373 CD GLU A 92 4.956 -7.361 -6.067 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.189 -8.276 -6.436 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.558 -6.326 -5.492 1.00 0.00 O ATOM 0 H GLU A 92 8.377 -6.446 -10.010 1.00 0.00 H new ATOM 0 HA GLU A 92 8.748 -6.444 -7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.276 -6.227 -8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.483 -7.921 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.739 -8.544 -6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.999 -6.887 -5.636 1.00 0.00 H new ATOM 1382 N ASN A 93 9.153 -9.055 -7.202 1.00 0.00 N ATOM 1383 CA ASN A 93 9.796 -10.354 -7.365 1.00 0.00 C ATOM 1384 C ASN A 93 8.778 -11.488 -7.271 1.00 0.00 C ATOM 1385 O ASN A 93 8.394 -11.906 -6.178 1.00 0.00 O ATOM 1386 CB ASN A 93 10.872 -10.533 -6.293 1.00 0.00 C ATOM 1387 CG ASN A 93 11.631 -11.839 -6.430 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.901 -12.303 -7.538 1.00 0.00 O ATOM 1389 ND2 ASN A 93 11.983 -12.437 -5.297 1.00 0.00 N ATOM 0 H ASN A 93 8.854 -8.844 -6.250 1.00 0.00 H new ATOM 0 HA ASN A 93 10.253 -10.389 -8.354 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.575 -9.702 -6.349 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.407 -10.491 -5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.498 -13.317 -5.323 1.00 0.00 H new ATOM 0 HD22 ASN A 93 11.738 -12.016 -4.401 1.00 0.00 H new ATOM 1396 N VAL A 94 8.365 -11.997 -8.428 1.00 0.00 N ATOM 1397 CA VAL A 94 7.413 -13.105 -8.487 1.00 0.00 C ATOM 1398 C VAL A 94 8.136 -14.429 -8.722 1.00 0.00 C ATOM 1399 O VAL A 94 8.493 -14.757 -9.855 1.00 0.00 O ATOM 1400 CB VAL A 94 6.354 -12.899 -9.588 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.287 -13.983 -9.516 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.728 -11.518 -9.463 1.00 0.00 C ATOM 0 H VAL A 94 8.674 -11.660 -9.340 1.00 0.00 H new ATOM 0 HA VAL A 94 6.904 -13.133 -7.524 1.00 0.00 H new ATOM 0 HB VAL A 94 6.843 -12.971 -10.559 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.549 -13.820 -10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.751 -14.960 -9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.796 -13.946 -8.543 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.982 -11.385 -10.246 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.252 -11.421 -8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.502 -10.757 -9.566 1.00 0.00 H new ATOM 1412 N ASP A 95 8.350 -15.187 -7.647 1.00 0.00 N ATOM 1413 CA ASP A 95 9.031 -16.479 -7.726 1.00 0.00 C ATOM 1414 C ASP A 95 10.381 -16.366 -8.434 1.00 0.00 C ATOM 1415 O ASP A 95 10.825 -17.307 -9.088 1.00 0.00 O ATOM 1416 CB ASP A 95 8.148 -17.504 -8.442 1.00 0.00 C ATOM 1417 CG ASP A 95 8.553 -18.933 -8.127 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.262 -19.142 -7.117 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.158 -19.841 -8.887 1.00 0.00 O ATOM 0 H ASP A 95 8.059 -14.926 -6.705 1.00 0.00 H new ATOM 0 HA ASP A 95 9.216 -16.814 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.109 -17.351 -8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.206 -17.341 -9.518 1.00 0.00 H new ATOM 1424 N GLY A 96 11.038 -15.221 -8.284 1.00 0.00 N ATOM 1425 CA GLY A 96 12.343 -15.029 -8.902 1.00 0.00 C ATOM 1426 C GLY A 96 12.267 -14.355 -10.258 1.00 0.00 C ATOM 1427 O GLY A 96 13.119 -14.581 -11.118 1.00 0.00 O ATOM 0 H GLY A 96 10.695 -14.424 -7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.967 -14.429 -8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.832 -15.997 -9.011 1.00 0.00 H new ATOM 1431 N SER A 97 11.245 -13.529 -10.457 1.00 0.00 N ATOM 1432 CA SER A 97 11.063 -12.830 -11.727 1.00 0.00 C ATOM 1433 C SER A 97 10.573 -11.402 -11.501 1.00 0.00 C ATOM 1434 O SER A 97 9.685 -11.161 -10.683 1.00 0.00 O ATOM 1435 CB SER A 97 10.063 -13.592 -12.599 1.00 0.00 C ATOM 1436 OG SER A 97 10.198 -13.240 -13.964 1.00 0.00 O ATOM 0 H SER A 97 10.531 -13.327 -9.758 1.00 0.00 H new ATOM 0 HA SER A 97 12.027 -12.784 -12.234 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.217 -14.665 -12.481 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.048 -13.377 -12.265 1.00 0.00 H new ATOM 0 HG SER A 97 9.548 -13.743 -14.497 1.00 0.00 H new ATOM 1442 N LEU A 98 11.162 -10.457 -12.229 1.00 0.00 N ATOM 1443 CA LEU A 98 10.790 -9.052 -12.104 1.00 0.00 C ATOM 1444 C LEU A 98 9.444 -8.780 -12.775 1.00 0.00 C ATOM 1445 O LEU A 98 9.272 -9.026 -13.969 1.00 0.00 O ATOM 1446 CB LEU A 98 11.872 -8.158 -12.715 1.00 0.00 C ATOM 1447 CG LEU A 98 13.272 -8.324 -12.120 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.232 -7.318 -12.739 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.230 -8.164 -10.607 1.00 0.00 C ATOM 0 H LEU A 98 11.898 -10.639 -12.911 1.00 0.00 H new ATOM 0 HA LEU A 98 10.697 -8.821 -11.043 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.924 -8.359 -13.785 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.568 -7.118 -12.600 1.00 0.00 H new ATOM 0 HG LEU A 98 13.630 -9.328 -12.348 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.224 -7.448 -12.306 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.282 -7.478 -13.816 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.878 -6.307 -12.539 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.234 -8.285 -10.200 1.00 0.00 H new ATOM 0 HD22 LEU A 98 12.854 -7.172 -10.356 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.572 -8.920 -10.179 1.00 0.00 H new ATOM 1461 N LYS A 99 8.486 -8.282 -11.994 1.00 0.00 N ATOM 1462 CA LYS A 99 7.146 -7.990 -12.502 1.00 0.00 C ATOM 1463 C LYS A 99 6.710 -6.563 -12.190 1.00 0.00 C ATOM 1464 O LYS A 99 6.912 -6.065 -11.083 1.00 0.00 O ATOM 1465 CB LYS A 99 6.139 -8.976 -11.905 1.00 0.00 C ATOM 1466 CG LYS A 99 6.097 -10.317 -12.621 1.00 0.00 C ATOM 1467 CD LYS A 99 4.894 -10.425 -13.547 1.00 0.00 C ATOM 1468 CE LYS A 99 3.699 -11.057 -12.849 1.00 0.00 C ATOM 1469 NZ LYS A 99 2.848 -11.830 -13.797 1.00 0.00 N ATOM 0 H LYS A 99 8.614 -8.072 -11.004 1.00 0.00 H new ATOM 0 HA LYS A 99 7.178 -8.096 -13.586 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.385 -9.142 -10.856 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.146 -8.528 -11.933 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.013 -10.450 -13.197 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.063 -11.121 -11.886 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.622 -9.433 -13.907 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.160 -11.019 -14.421 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.049 -11.716 -12.055 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.101 -10.278 -12.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.045 -12.245 -13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.493 -11.196 -14.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.412 -12.589 -14.229 1.00 0.00 H new ATOM 1483 N TYR A 100 6.098 -5.910 -13.175 1.00 0.00 N ATOM 1484 CA TYR A 100 5.621 -4.544 -13.006 1.00 0.00 C ATOM 1485 C TYR A 100 4.338 -4.519 -12.176 1.00 0.00 C ATOM 1486 O TYR A 100 4.171 -3.665 -11.307 1.00 0.00 O ATOM 1487 CB TYR A 100 5.374 -3.889 -14.367 1.00 0.00 C ATOM 1488 CG TYR A 100 4.812 -2.487 -14.269 1.00 0.00 C ATOM 1489 CD1 TYR A 100 3.452 -2.277 -14.085 1.00 0.00 C ATOM 1490 CD2 TYR A 100 5.641 -1.376 -14.352 1.00 0.00 C ATOM 1491 CE1 TYR A 100 2.930 -1.001 -13.989 1.00 0.00 C ATOM 1492 CE2 TYR A 100 5.127 -0.095 -14.254 1.00 0.00 C ATOM 1493 CZ TYR A 100 3.772 0.087 -14.074 1.00 0.00 C ATOM 1494 OH TYR A 100 3.259 1.358 -13.973 1.00 0.00 O ATOM 0 H TYR A 100 5.922 -6.307 -14.098 1.00 0.00 H new ATOM 0 HA TYR A 100 6.390 -3.980 -12.478 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.312 -3.858 -14.922 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.685 -4.509 -14.940 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.789 -3.127 -14.016 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.703 -1.514 -14.495 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.869 -0.857 -13.848 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.785 0.759 -14.318 1.00 0.00 H new ATOM 0 HH TYR A 100 3.985 2.011 -14.052 1.00 0.00 H new